Geometry & MOs

Info

ID:	5949
PubChem CID:	14170
Reduced:	O2C19H28 (1)
Stoich.:	A2B19C28 (1)
Weight, g/mol:	288.20893
ΔH_f, kcal/mol:	-123.78
Dipole, Da:	4.23
IP(EA), eV:	-9.67(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-17-hydroxy-2,13-dimethyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

C[C@@H]1CC2C3CCC4(C(C3CCC2=CC1=O)CCC4O)C

DOS

IR

Vibrations