Geometry & MOs

Info

ID:	144738
PubChem CID:	53405135
Reduced:	NO2H9C11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	215.058243
ΔH_f, kcal/mol:	-25.51
Dipole, Da:	5.69
IP(EA), eV:	-8.27(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C2C=CC(=CN2)O)C(=O)C=C1

DOS

IR

Vibrations