Geometry & MOs

Info

ID:	2085
PubChem CID:	5757
Reduced:	OC9H12 (2)
Stoich.:	AB9C12 (2)
Weight, g/mol:	272.17763
ΔH_f, kcal/mol:	-104.03
Dipole, Da:	0.8
IP(EA), eV:	-8.74(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O

DOS

IR

Vibrations