Geometry & MOs

Info

ID:	426001
PubChem CID:	135134633
Reduced:	NSO2C11H21 (1)
Stoich.:	ABC2D11E21 (1)
Weight, g/mol:	262.19328
ΔH_f, kcal/mol:	-93.58
Dipole, Da:	4.86
IP(EA), eV:	-9.41(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

CC(C)(C)C1CCN(CC1)S(=O)(=O)C=C

DOS

IR

Vibrations