Geometry & MOs

Info

ID:	339271
PubChem CID:	127260650
Reduced:	OC15H22 (1)
Stoich.:	AB15C22 (1)
Weight, g/mol:	204.151415
ΔH_f, kcal/mol:	-53.88
Dipole, Da:	3.56
IP(EA), eV:	-9.12(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[(4-methylcyclohex-3-en-1-yl)methylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

CC1CC(=CCC1/C=C/2\CCCCC2=O)C

DOS

IR

Vibrations