Geometry & MOs

Info

ID:	276838
PubChem CID:	103825434
Reduced:	ClINO2C11H13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	273.051634
ΔH_f, kcal/mol:	-67.43
Dipole, Da:	3.41
IP(EA), eV:	-9.79(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(4-hydroxybutan-2-yl)-5-nitropyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(CCO)NC(=O)C1=CC(=C(C=C1)I)Cl

DOS

IR

Vibrations