Geometry & MOs

Info

ID:	20090
PubChem CID:	579087
Reduced:	OC10H12 (2)
Stoich.:	AB10C12 (2)
Weight, g/mol:	296.17763
ΔH_f, kcal/mol:	23.85
Dipole, Da:	3.5
IP(EA), eV:	-8.8(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-ethynyl-17-hydroxy-13-methyl-6,7,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)C=CC34

DOS

IR

Vibrations