Geometry & MOs

Info

ID:	19427
PubChem CID:	563487
Reduced:	ClN4H14C19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	333.090699
ΔH_f, kcal/mol:	158.08
Dipole, Da:	3.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.156754
Charge, e:	1

Chem-info

IUPAC name:

5-(4-chlorophenyl)-2,3-diphenyltetrazol-2-ium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2N=C(N=[N+]2C3=CC=CC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations