Geometry & MOs

Info

ID:	2115
PubChem CID:	5857
Reduced:	OC20H28 (1)
Stoich.:	AB20C28 (1)
Weight, g/mol:	284.214016
ΔH_f, kcal/mol:	-23.26
Dipole, Da:	1.87
IP(EA), eV:	-8.96(1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CCCC[C@H]34

DOS

IR

Vibrations