Abstract The FT-IR and FT-Raman spectra of N-(3-iodo-4-methylphenyl) pyrazine-2-
carboxamide were recorded and the experimentally observed wavenumbers are compared …

Pyrazine and its derivatives form an important class of compounds present in several natural
flavors and complex organic molecules. Quantum chemical calculations of the equilibrium …

Using density functional theory technique in the B3LYP approximation and cc-pVDZ (5D, 7F)
basis set, the molecular structural parameters and vibrational wave numbers of two …

In the B3LYP approximation, vibrational wavenumbers of pyrazine-2-carboxamide (PYCA)
and molecular structural parameters were analyzed by the DFT/6-311++ G (d, p) level of …

The optimized molecular structure, vibrational frequencies, corresponding vibrational
assignments of 5-tert-Butyl-6-chloro-N-[(4-(trifluoromethyl) phenyl] pyrazine-2-carboxamide …

In this work, the study of the6-chloro-4-hydroxy-3-phenyl pyridazine compound,(C 10 H 7 N
2 O Cl with synonym 4-pyridazinol, 6-chloro-3-phenyl-), was verified experimentally by using …

In this work, FT-IR and FT-Raman spectra of 2 acetylamino-5-bromo 4 methyl pyridine were
carried out by using DFT/B3LYP method with 6-311++ G (d, p) basis set. The geometric …

The optimized molecular structure, vibrational frequencies, corresponding vibrational
assignments of N-[(4-(trifluoromethyl) phenyl] pyrazine-2-carboxamide have been …

Vibrational spectral analysis of 5-methyl-N-[4-(trifluoromethyl) phenyl]-isoxazole-4-
carboxamide is (5MN4TPI4C) molecule was carried out using FT-IR and FT-Raman …

The molecular structural parameters and vibrational frequencies of 5-chloro-N-(3-
nitrophenyl) pyrazine-2-carboxamide have been obtained using density functional theory …