Geometry & MOs

Info

ID:	5967
PubChem CID:	14196
Reduced:	NH11C12 (2)
Stoich.:	AB11C12 (2)
Weight, g/mol:	338.178299
ΔH_f, kcal/mol:	119.86
Dipole, Da:	0.22
IP(EA), eV:	-6.42(0.12)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)CC4=CC=CC=C4

DOS

IR

Vibrations