Geometry & MOs

Info

ID:	6423
PubChem CID:	68586
Reduced:	OC11H14 (2)
Stoich.:	AB11C14 (2)
Weight, g/mol:	324.20893
ΔH_f, kcal/mol:	-52.25
Dipole, Da:	3.22
IP(EA), eV:	-8.62(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,9S,11S,13S,14S,17R)-11-ethyl-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

Drug info:

PubChemData

Smile

CC[C@H]1C[C@]2([C@@H](CC[C@]2(C#C)O)[C@H]3[C@H]1C4=C(CC3)C=C(C=C4)O)C

DOS

IR

Vibrations