Geometry & MOs

Info

ID:	148632
PubChem CID:	53788300
Reduced:	ON2C20H22 (1)
Stoich.:	AB2C20D22 (1)
Weight, g/mol:	162.06808
ΔH_f, kcal/mol:	37.13
Dipole, Da:	1.82
IP(EA), eV:	-8.16(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxobut-3-enylidene)cyclohex-3-en-1-one

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC=CC=C1C=CC2=C3C=CNC3=CC=C2

DOS

IR

Vibrations