Geometry & MOs

Info

ID:

52976

PubChem CID:

14709320

Reduced:

NC14H14 (1)

Stoich.:

AB14C14 (1)

Weight, g/mol:

275.03096

ΔHf, kcal/mol:

63.88

Dipole, Da:

1.17

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.022994

Charge, e:

 0

Chem-info

IUPAC name:

1-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium;bromide

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=CC=C1)/[N+]2=CC=CC=C2

DOS

IR

Vibrations