Geometry & MOs

Info

ID:	5775
PubChem CID:	13766
Reduced:	O2C19H24 (1)
Stoich.:	A2B19C24 (1)
Weight, g/mol:	284.17763
ΔH_f, kcal/mol:	-81.33
Dipole, Da:	7.74
IP(EA), eV:	-8.9(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(17S)-17-hydroxy-13,17-dimethyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

C[C@@]1(CCC2C1(C=CC3=C4CCC(=O)C=C4CCC23)C)O

DOS

IR

Vibrations