Geometry & MOs

Info

ID:

18277

PubChem CID:

539348

Reduced:

NO3C29H47 (1)

Stoich.:

AB3C29D47 (1)

Weight, g/mol:

457.355594

ΔHf, kcal/mol:

-202.21

Dipole, Da:

2.25

IP(EA), eV:

 -9.31(0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(=NC1)C(C)C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)O)C)C)OC(=O)C

DOS

IR

Vibrations