Geometry & MOs

Info

ID:	18228
PubChem CID:	538981
Reduced:	O3C17H24 (1)
Stoich.:	A3B17C24 (1)
Weight, g/mol:	276.172545
ΔH_f, kcal/mol:	-157.24
Dipole, Da:	6.3
IP(EA), eV:	-9.78(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3a,9b-dimethyl-7-oxo-1,2,3,4,5,8,9,9a-octahydrocyclopenta[a]naphthalen-3-yl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2(C1(CCC3=CC(=O)CCC32)C)C

DOS

IR

Vibrations