Geometry & MOs

Info

ID:

141826

PubChem CID:

52934749

Reduced:

N4C43H55 (1)

Stoich.:

A4B43C55 (1)

Weight, g/mol:

1042.1252

ΔHf, kcal/mol:

118.3

Dipole, Da:

3.57

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 3.362307

Charge, e:

 0

Chem-info

IUPAC name:

9-[2-[2-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3,6-bis[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]carbazole;triiodide

Drug info:

PubChemData

Smile

C[N+]1=CC=C(C=C1)/C=C/C2=CC3=C(N(C4=C3C=C(C=C4)/C=C/C5=CC=[N+](C=C5)C)CCCCCCCCC[N+]6(CCCCC6)C)C=C2

DOS

IR

Vibrations