Geometry & MOs

Info

ID:	52349
PubChem CID:	12015188
Reduced:	NC22H32 (1)
Stoich.:	AB22C32 (1)
Weight, g/mol:	267.053158
ΔH_f, kcal/mol:	-1.63
Dipole, Da:	1.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.015962
Charge, e:	0

Chem-info

IUPAC name:

(2E)-1,3-dioxo-2-(1H-pyridin-2-ylidene)indene-5-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCC1=CC(=CC(=[N+]1C2=CC=CC=C2)CCCCC)C

DOS

IR

Vibrations