The main objective of this master thesis is to analyze aminopropylsilanetriol theoretically by means of quantum mechanical calculations using density functional theory and experimentally with the application of Fourier transform infrared spectroscopy (FTIR). By calculating the potential energy depending on the torsion angle of SiCCC, two stable conformations of the molecule, trans and gauche, were obtained. The calculated lower energy of the trans conformation indicates that it is more stable than the gauche conformation. For both conformations, the optimal geometries and vibrational frequencies with infrared intensities were calculated. The calculations were performed using the Gaussian09 software package with the B3LYP functional. After obtaining the theoretical calculations and experimental results, a vibrational and conformational analysis was conducted, and the resulting infrared spectra were compared. Aminopropylsilanetriol is a compound that is increasingly being used in various industrial applications due to its ability to connect organic and inorganic compounds. However, in order to expand its application even more, it is necessary to know in detail its structure, bonds and vibration energies. Aminopropylsilanetriol is stable in aqueous solution, making it difficult to experimentally obtain data on the structure of the molecule itself. Theoretical calculations of the structure and other parameters are therefore very useful. In this study, the geometry of stable conformations and vibrational frequencies were calculated. A comparison of the vibrational frequencies of the two conformations indicates mostly similar spectra with the main difference in the area of stretching of CC, CN and SiC bonds, which is a consequence of the different dihedral angle of the mentioned atoms. It has been shown that there are no significant differences between the observed conformations, but certain results indicate the stability of the trans conformation.