Geometry & MOs

Info

ID:	12099
PubChem CID:	130191
Reduced:	OC21H30 (1)
Stoich.:	AB21C30 (1)
Weight, g/mol:	298.229666
ΔH_f, kcal/mol:	-25.59
Dipole, Da:	1.79
IP(EA), eV:	-8.98(1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9S,10R,14S)-13-ethyl-17-ethynyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol

Drug info:

PubChemData

Smile

CCC12CC[C@H]3[C@H]([C@@H]1CCC2(C#C)O)CCC4=CCCC[C@H]34

DOS

IR

Vibrations