Geometry & MOs

Info

ID:	252884
PubChem CID:	103114774
Reduced:	N2O3C11H12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	305.056719
ΔH_f, kcal/mol:	-16.06
Dipole, Da:	3.8
IP(EA), eV:	-10.05(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(2-methyl-3-nitrophenyl)methyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations