Geometry & MOs

Info

ID:	7885
PubChem CID:	74396
Reduced:	N4H17C23 (1)
Stoich.:	A4B17C23 (1)
Weight, g/mol:	349.145322
ΔH_f, kcal/mol:	185.8
Dipole, Da:	1.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.493762
Charge, e:	1

Chem-info

IUPAC name:

2-naphthalen-1-yl-3,5-diphenyltetrazol-2-ium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC=CC4=CC=CC=C43)C5=CC=CC=C5

DOS

IR

Vibrations