Geometry & MOs

Info

ID:

388859

PubChem CID:

134990460

Reduced:

O3C15H17 (2)

Stoich.:

A3B15C17 (2)

Weight, g/mol:

355.251129

ΔHf, kcal/mol:

-194.74

Dipole, Da:

1.5

IP(EA), eV:

 -9.39(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-pyrrolidin-1-yl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

CC1(OC2C(C(OC2O1)[C@@H](COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C

DOS

IR

Vibrations