Geometry & MOs

Info

ID:	5886
PubChem CID:	13957
Reduced:	OC10H14 (2)
Stoich.:	AB10C14 (2)
Weight, g/mol:	300.20893
ΔH_f, kcal/mol:	-108.06
Dipole, Da:	5.55
IP(EA), eV:	-9.56(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-hydroxy-10,13,17-trimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC12CCC(=O)C=C1CCC3C2=CCC4(C3CCC4(C)O)C

DOS

IR

Vibrations