Geometry & MOs

Info

ID:	257326
PubChem CID:	103145291
Reduced:	NO2C5H6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	305.056719
ΔH_f, kcal/mol:	-90.13
Dipole, Da:	7.12
IP(EA), eV:	-9.58(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(2,5-dimethyl-4-nitrophenyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations