Geometry & MOs

Info

ID:	11186
PubChem CID:	111604
Reduced:	NC7H8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	212.131349
ΔH_f, kcal/mol:	95.35
Dipole, Da:	2.15
IP(EA), eV:	-9.51(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-[(E)-4-pyridin-1-ium-1-ylbut-2-enyl]pyridin-1-ium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations