Geometry & MOs

Info

ID:	252142
PubChem CID:	103109414
Reduced:	O3N4C14H14 (1)
Stoich.:	A3B4C14D14 (1)
Weight, g/mol:	286.10659
ΔH_f, kcal/mol:	-3.62
Dipole, Da:	6.59
IP(EA), eV:	-8.97(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-N-[(2-methyl-3-nitrophenyl)methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)C2=C(C=CC=N2)N

DOS

IR

Vibrations