Geometry & MOs

Info

ID:	50163
PubChem CID:	12012671
Reduced:	O2N4H8C15 (1)
Stoich.:	A2B4C8D15 (1)
Weight, g/mol:	205.029442
ΔH_f, kcal/mol:	133.53
Dipole, Da:	1.02
IP(EA), eV:	-10.52(-2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-(3-chloro-1H-pyridin-4-ylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C(\C#N)/C2=NC=C(C=C2)[N+](=O)[O-])C#N

DOS

IR

Vibrations