Geometry & MOs

Info

ID:	397474
PubChem CID:	135030260
Reduced:	OC19H34 (1)
Stoich.:	AB19C34 (1)
Weight, g/mol:	278.260966
ΔH_f, kcal/mol:	-66.96
Dipole, Da:	1.99
IP(EA), eV:	-9.24(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4aS,5R,6S,8aR)-1,5,6,8a-tetramethyl-5-pentyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-one

Drug info:

PubChemData

Smile

CCCCC/C=C(\C)/CC/C=C(\C)/CC[C@H]1C(O1)(C)C

DOS

IR

Vibrations