Geometry & MOs

Info

ID:	373594
PubChem CID:	131317651
Reduced:	NOCl2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	216.053492
ΔH_f, kcal/mol:	-18.68
Dipole, Da:	2.83
IP(EA), eV:	-9.56(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-5-pyridin-3-yl-3H-pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CN1C/C(=C/Cl)/Cl

DOS

IR

Vibrations