Geometry & MOs

Info

ID:	407526
PubChem CID:	135080272
Reduced:	NOC15H17 (1)
Stoich.:	ABC15D17 (1)
Weight, g/mol:	213.078979
ΔH_f, kcal/mol:	21.62
Dipole, Da:	4.14
IP(EA), eV:	-8.8(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-3-acetyl-6-(1H-pyridin-2-ylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC=C=CN(C1=CC=CC=C1CC=C)C(=O)C

DOS

IR

Vibrations