Geometry & MOs

Info

ID:	437090
PubChem CID:	135214726
Reduced:	OC15H18 (1)
Stoich.:	AB15C18 (1)
Weight, g/mol:	279.162314
ΔH_f, kcal/mol:	-19.73
Dipole, Da:	2.74
IP(EA), eV:	-8.6(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)phenyl]-2-methyl-3-oxopropanenitrile

Drug info:

PubChemData

Smile

CC1(CC(=C)C=C(C1)C2=CC=C(C=C2)O)C

DOS

IR

Vibrations