Geometry & MOs

Info

ID:	20661
PubChem CID:	585038
Reduced:	OC15H24 (1)
Stoich.:	AB15C24 (1)
Weight, g/mol:	220.182715
ΔH_f, kcal/mol:	-66.96
Dipole, Da:	2.66
IP(EA), eV:	-8.94(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-one

Drug info:

PubChemData

Smile

CCC(=O)C(=CC1=C(CCCC1(C)C)C)C

DOS

IR

Vibrations