Geometry & MOs

Info

ID:

43612

PubChem CID:

10321543

Reduced:

O2F3C26H49 (1)

Stoich.:

A2B3C26D49 (1)

Weight, g/mol:

450.3974

ΔHf, kcal/mol:

-350.04

Dipole, Da:

3.16

IP(EA), eV:

 -10.4(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,5S,8R,9S,10S,13S,14S,17S)-N-benzyl-17-[(1S)-1-(dimethylamino)ethyl]-N,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(CCCCCC)CCCCCCOC(=O)C(F)(F)F

DOS

IR

Vibrations