Geometry & MOs

Info

ID:	426002
PubChem CID:	135134762
Reduced:	O2C17H26 (1)
Stoich.:	A2B17C26 (1)
Weight, g/mol:	262.19328
ΔH_f, kcal/mol:	-124.3
Dipole, Da:	5.09
IP(EA), eV:	-9.54(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,3aS,9bS)-3-(1-hydroxyethyl)-3a,6-dimethyl-2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-7-one

Drug info:

PubChemData

Smile

CC1=C2CCC3(C(C2CCC1=O)CCC3C(C)O)C

DOS

IR

Vibrations