Geometry & MOs

Info

ID:	27271
PubChem CID:	820113
Reduced:	ON3H9C12 (1)
Stoich.:	AB3C9D12 (1)
Weight, g/mol:	296.077262
ΔH_f, kcal/mol:	21.62
Dipole, Da:	1.97
IP(EA), eV:	-8.72(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-3-(trifluoromethyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C(=CC2=C1)NC(=O)C(=N3)N

DOS

IR

Vibrations