Geometry & MOs

Info

ID:	275667
PubChem CID:	103816984
Reduced:	ClO3N4C13H17 (1)
Stoich.:	AB3C4D13E17 (1)
Weight, g/mol:	291.041069
ΔH_f, kcal/mol:	-21.14
Dipole, Da:	4.93
IP(EA), eV:	-9.05(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-methyl-5-nitro-N-phenylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)N(C)C(=O)C2=C(N=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations