Geometry & MOs

Info

ID:	412872
PubChem CID:	135085801
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	246.198365
ΔH_f, kcal/mol:	-109.77
Dipole, Da:	2.42
IP(EA), eV:	-10.02(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,6R)-2,6-dimethyl-3-prop-1-en-2-yl-2,6-bis(prop-2-enyl)cyclohexan-1-one

Drug info:

PubChemData

Smile

CC(=O)OC12CCC(=O)C1C3C2CCC3

DOS

IR

Vibrations