Geometry & MOs

Info

ID:	6119
PubChem CID:	67084
Reduced:	NO2C20H25 (1)
Stoich.:	AB2C20D25 (1)
Weight, g/mol:	311.188529
ΔH_f, kcal/mol:	-68.08
Dipole, Da:	1.47
IP(EA), eV:	-8.49(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9S,13S,14S,16S,17S)-17-hydroxy-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16-carbonitrile

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)C#N)CCC4=C3C=CC(=C4)OC

DOS

IR

Vibrations