Geometry & MOs

Info

ID:

21228

PubChem CID:

587725

Reduced:

NO2C27H41 (1)

Stoich.:

AB2C27D41 (1)

Weight, g/mol:

411.31373

ΔHf, kcal/mol:

-131.6

Dipole, Da:

3.47

IP(EA), eV:

 -9.27(0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl]-3-methyl-3,5-dihydro-2H-pyridin-4-one

Drug info:

PubChemData

Smile

CC1CN=C(CC1=O)C(C)C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C

DOS

IR

Vibrations