Geometry & MOs

Info

ID:	5105
PubChem CID:	12595
Reduced:	OC9H11 (2)
Stoich.:	AB9C11 (2)
Weight, g/mol:	270.16198
ΔH_f, kcal/mol:	-88.43
Dipole, Da:	2.39
IP(EA), eV:	-8.73(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol

Drug info:

PubChemData

Smile

CC12CCC3C(=CCC4=C3C=CC(=C4)O)C1CCC2O

DOS

IR

Vibrations