Experimental spectroscopic (FTIR, FT-Raman, FT-NMR, UV-Visible) and DFT studies of 1-ethyl-1,4-dihydro-7-methyl-4oxo-1,8 napthyridine-3-carboxylic acids

EDMONCA (1-ethyl-1,4-dihydro-7-methyl-4oxo-1,8 napthyridine-3-carboxylic acid) is used an anti infective/antibacterial drug belongs into a Quinolone group of antibiotics. It is indicated for treatment of urinary tract infection and shigellosis. The equilibrium geometries, harmonic vibrational frequencies, infrared intensities and Raman scattering activities were calculated by DFT/B3LYP and B3PW91 methods with 6-311G (d, p) basis set, using Gaussian 03W program. The 1H and 13C Nuclear Magnetic Resonance (NMR) chemical shifts of the molecules were calculated using GIAO method.