Geometry & MOs

Info

ID:	5966
PubChem CID:	14195
Reduced:	ClNH11C12 (2)
Stoich.:	ABC11D12 (2)
Weight, g/mol:	408.116004
ΔH_f, kcal/mol:	91.42
Dipole, Da:	10.34
IP(EA), eV:	-8.33(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

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.[Cl-].[Cl-]

DOS

IR

Vibrations