Synthesis, crystal structure and theoretical study of two isomeric poly-substituted derivatives of 1,4-dihydropyridine

Abstract

2, V = 0.8584(3) A 3 . The spectral behavior of the optimized structures of these compounds was reproduced by the hybrid DFT method B3LYP and HF method both with 6-31G basis set and some semi-empirical methods for comparison. The theoretical spectra were compared with the experimental ones.