Vibrational spectroscopic studies and ab initio calculations of a substituted amide of pyrazine-2-carboxylic acid--C12H10ClN3O.
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.
Mary
Y Sheeena
YS
Thushara, Neethinagar-64, Pattathanam, Kollam, Kerala 691021, India.
Varghese
Hema Tresa
HT
Panicker
C Yohannan
CY
Dolezal
Martin
M
D008958:Models, Molecular; D008968:Molecular Conformation; D015394:Molecular Structure; D011718:Pyrazinamide / Q000031:analogs & derivatives* / Q000737:chemistry; D013055:Spectrophotometry, Infrared; D014732:Vibration
D011718:Pyrazinamide; C005296:pyrazinoic acid