Spectroscopic (FT-IR, FT-Raman, UV and NMR) investigation on 1-phenyl-2-nitropropene by quantum computational calculations

1-Phenyl-2-nitropropene is one of the important intermediate preparation of amphetamine, which is widely used as cognitive enhancer drug of the central nervous system. It exhibits the property of the dipole moment and hyperpolarizability three times higher than the NLO property of the urea. There are larger charge distribution and flow of charge from electrophile to nucleophile in the molecule.