Geometry & MOs

Info

ID:

18242

PubChem CID:

539091

Reduced:

NO3C29H45 (1)

Stoich.:

AB3C29D45 (1)

Weight, g/mol:

455.339944

ΔHf, kcal/mol:

-194.46

Dipole, Da:

4.12

IP(EA), eV:

 -9.37(0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(=NC1)C(C)C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC(=O)C)C)C)O

DOS

IR

Vibrations