title: Vibrational spectroscopic studies and ab initio calculations of a substituted amide of pyrazine-2-carboxylic acid--C12H10ClN3O.
abstract: A substituted amide of pyrazine-2-carboxylic acid was prepared and the IR spectrum is recorded and analysed. The vibrational frequencies and corresponding vibrational assignments are examined theoretically using the Gaussian03 set of quantum chemistry codes. Predicted infrared and Raman intensities are reported.
authors: Thushara, Neethinagar-64, Pattathanam, Kollam, Kerala 691021, India.
authors: Y Sheeena
authors: YS
authors: Mary
authors: Hema Tresa
authors: HT
authors: Varghese
authors: C Yohannan
authors: CY
authors: Panicker
authors: Martin
authors: M
authors: Dolezal
mesh_terms: D008958:Models, Molecular; D008968:Molecular Conformation; D015394:Molecular Structure; D011718:Pyrazinamide / Q000031:analogs & derivatives* / Q000737:chemistry; D013055:Spectrophotometry, Infrared; D014732:Vibration
chemical_list: D011718:Pyrazinamide; C005296:pyrazinoic acid