Geometry & MOs

Info

ID:	812
PubChem CID:	3387
Reduced:	FO3C20H29 (1)
Stoich.:	AB3C20D29 (1)
Weight, g/mol:	336.210073
ΔH_f, kcal/mol:	-220.62
Dipole, Da:	6.86
IP(EA), eV:	-9.75(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-fluoro-11,17-dihydroxy-10,13,17-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC12CCC(=O)C=C1CCC3C2(C(CC4(C3CCC4(C)O)C)O)F

DOS

IR

Vibrations