Geometry & MOs

Info

ID:	14144
PubChem CID:	405114
Reduced:	OC18H30 (1)
Stoich.:	AB18C30 (1)
Weight, g/mol:	262.229666
ΔH_f, kcal/mol:	-88.6
Dipole, Da:	2.21
IP(EA), eV:	-9.6(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]butan-2-one

Drug info:

PubChemData

Smile

CC(=O)CCC1C(=C)CCC2[C@@]1(CCCC2(C)C)C

DOS

IR

Vibrations