Geometry & MOs

Info

ID:	726
PubChem CID:	3269
Reduced:	OC6H8 (3)
Stoich.:	AB6C8 (3)
Weight, g/mol:	288.172545
ΔH_f, kcal/mol:	-149.49
Dipole, Da:	3.4
IP(EA), eV:	-8.87(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol

Drug info:

PubChemData

Smile

CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O

DOS

IR

Vibrations