The work focused on determining the Infrared spectroscopy (IRS) of the two compounds calculated are from two esters (compounds C1 and C2) from 2,3,4,5-Tetrahydro-oxepine derivatives, here called C1 and C2. The IRS was obtained via computational methods ab initio Restricted Hartree-Fock. Optimization of molecular structure via UFF, followed by PM3, RHF/EPR-II and RHF/STO-6G, thus obtaining a stable structure, in STP. The molecule was obtained, whose composition is C: 81.7%; H: 7.1%; N: 3.4%; O: 7.8%, 411.53536 g, and molecular formula: C28H29NO2 for C1 and C: 70.6%; H: 7.4%; N: 10.3%; O: 11.7%, 544.68439 g, and molecular formula: C32H40N4O4. The highest vibrational absorbance frequency peaks for the C1 and C2 molecule are found at the frequency of 1793.58 cm-1, 1867.14 cm-1 and 1956.39 cm-1, for C1 and 1368.99 cm-1, 1409.43 cm-1 and 1790.47 cm-1, for C2, respectively. Limitations our study has so far been limited to computational simulation via quantum mechanics (QM) an applied theory. Our results and calculations are compatible with the theory of QM.