Geometry & MOs

Info

ID:	197444
PubChem CID:	78965663
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	252.101111
ΔH_f, kcal/mol:	-12.35
Dipole, Da:	5.13
IP(EA), eV:	-9.48(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-4-cyanophenyl)-3-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCNC(C)(C)C(=O)NC1=C(C=C(C=C1)C#N)[N+](=O)[O-]

DOS

IR

Vibrations