Geometry & MOs

Info

ID:	252141
PubChem CID:	103109412
Reduced:	ClO3N5C9H10 (1)
Stoich.:	AB3C5D9E10 (1)
Weight, g/mol:	286.10659
ΔH_f, kcal/mol:	-4.21
Dipole, Da:	3.79
IP(EA), eV:	-10.69(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=NC=NO2)CCl

DOS

IR

Vibrations