The IR spectra of the 4-butil-4’-cyanobiphenyl in the liquid and solid crystal states in the region 400−400 cm−1 were measured at the 28–70°С temperature interval. The transformations of the spectra at the temperature changes are explained on the basis of the IR spectra calculation results performed with using of the LEV-100 software. A supposition about the conformational changes in the molecule made. The bands sensitive to the changes in its conformational structure were found and the interpretation of the IR spectra was given.