Geometry & MOs

Info

ID:	10124
PubChem CID:	97764
Reduced:	OC13H20 (1)
Stoich.:	AB13C20 (1)
Weight, g/mol:	192.151415
ΔH_f, kcal/mol:	-51.61
Dipole, Da:	3.63
IP(EA), eV:	-9.24(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5,6-trimethylcyclohex-3-en-1-yl)but-3-en-2-one

Drug info:

PubChemData

Smile

CC1C=C(CC(C1C)C=CC(=O)C)C

DOS

IR

Vibrations