Geometry & MOs

Info

ID:

5955

PubChem CID:

14178

Reduced:

NOC20H29 (1)

Stoich.:

ABC20D29 (1)

Weight, g/mol:

299.224915

ΔHf, kcal/mol:

40.25

Dipole, Da:

5.51

IP(EA), eV:

 -7.25(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carbonitrile

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(CC(=CC4)C#N)C

DOS

IR

Vibrations