Geometry & MOs

Info

ID:

6212

PubChem CID:

67528

Reduced:

ClN4H15C19 (2)

Stoich.:

AB4C15D19 (2)

Weight, g/mol:

668.197048

ΔHf, kcal/mol:

446.64

Dipole, Da:

23.31

IP(EA), eV:

 -6.5(-3.66)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

2-[4-[4-(1,4-diphenyltetrazole-1,4-diium-2-yl)phenyl]phenyl]-1,4-diphenyltetrazole-1,4-diium;dichloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[N+]2=C[N+](=NN2C3=CC=C(C=C3)C4=CC=C(C=C4)N5N=[N+](C=[N+]5C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8.[Cl-].[Cl-]

DOS

IR

Vibrations