Pegu, David published the artcile< Analysis of molecular structure, vibrational spectra and electronic properties of 2-amino-3-nitro-6-picoline by density functional methods>, Recommanded Product: 2-Amino-3-nitro-6-picoline, the main research area is amino nitropicoline mol structure vibrational spectrum electronic property.
In the present study the geometrical parameters and vibrational spectroscopic properties of the compound 2-amino-3-nitro-6-picoline (2A3N6P) have been calculated by using Harteree-Fock and D. functional method (B3LYP) with 6-311++G(d,p) basis set. The calculated optimized structural parameters and the scaled frequencies are investigated and compared with earlier reported data. The complete vibrational assignment and anal. of the fundamental modes of the mol. were carried out. In addition, mol. electrostatic potential and total electron d. has been analyzed to investigate size, shape, charge d. distribution and site on chem. reactivity of the mol. Finally the Mullikan at. charges of the compound have been studied.
Pharma Chemica published new progress about Atomic charge. 21901-29-1 belongs to class pyridine-derivatives, and the molecular formula is C6H7N3O2, Recommanded Product: 2-Amino-3-nitro-6-picoline.