Geometry & MOs

Info

ID:

2189

PubChem CID:

6189

Reduced:

I2N2C29H56 (1)

Stoich.:

A2B2C29D56 (1)

Weight, g/mol:

686.25329

ΔHf, kcal/mol:

-36.4

Dipole, Da:

32.44

IP(EA), eV:

 -5.95(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,8R,10S,13S,17R)-3-[diethyl(methyl)azaniumyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-diethyl-methylazanium;diiodide

Drug info:

PubChemData

Smile

CC[N+](C)(CC)[C@@H]1CC[C@]2(C(C1)CC[C@@H]3C2CC[C@]4(C3CC[C@H]4[N+](C)(CC)CC)C)C.[I-].[I-]

DOS

IR

Vibrations