Geometry & MOs

Info

ID:

27356

PubChem CID:

820894

Reduced:

N3C8H10 (1)

Stoich.:

A3B8C10 (1)

Weight, g/mol:

260.00749

ΔHf, kcal/mol:

71.19

Dipole, Da:

0.72

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.250652

Charge, e:

 1

Chem-info

IUPAC name:

1-[1-(4-bromophenyl)ethenyl]pyridin-1-ium

Drug info:

PubChemData

Smile

CC1=C2C=CC=C[N+]2=CN1N

DOS

IR

Vibrations