Geometry & MOs

Info

ID:

409366

PubChem CID:

135082146

Reduced:

N3C35H48 (1)

Stoich.:

A3B35C48 (1)

Weight, g/mol:

524.400474

ΔHf, kcal/mol:

56.49

Dipole, Da:

2.76

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.935066

Charge, e:

 1

Chem-info

IUPAC name:

3-[(Z)-10-pyridin-4-yldec-7-enyl]-1-[(Z)-11-pyridin-3-ylundec-9-enyl]pyridin-1-ium

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C/C=C\CCCCCCC[N+]2=CC=CC(=C2)CCCCCC/C=C\CCC3=CC=NC=C3

DOS

IR

Vibrations