Geometry & MOs

Info

ID:

2192

PubChem CID:

6192

Reduced:

I2N2C25H48 (1)

Stoich.:

A2B2C25D48 (1)

Weight, g/mol:

630.19069

ΔHf, kcal/mol:

-40.11

Dipole, Da:

10.44

IP(EA), eV:

 -7.14(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3C2CC[C@]4(C3CC[C@H]4[N+](C)(C)C)C)[N+](C)(C)C.[I-].[I-]

DOS

IR

Vibrations