Geometry & MOs

Info

ID:

2188

PubChem CID:

6188

Reduced:

N2C31H60 (1)

Stoich.:

A2B31C60 (1)

Weight, g/mol:

460.47565

ΔHf, kcal/mol:

58.74

Dipole, Da:

0.49

IP(EA), eV:

 -1.91(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[N+](CC)(CC)C1CC[C@]2(C(C1)CC[C@@H]3C2CC[C@]4(C3CCC4[N+](CC)(CC)CC)C)C

DOS

IR

Vibrations