The spectroscopic (FT-IR, FT-Raman, UV) and first order hyperpolarizability, HOMO and LUMO analysis of 3-aminobenzophenone by density functional method

► Geometrical parameters and vibrational frequencies of 3-ABP were calculated. ► Conformational analysis was carried out using DFT/B3LYP method. ► Molecular electrostatic potential map was drawn and explained. ► Electronic properties were investigated.