Geometry & MOs

Info

ID:

15149

PubChem CID:

430791

Reduced:

N4C9H11 (1)

Stoich.:

A4B9C11 (1)

Weight, g/mol:

175.098371

ΔHf, kcal/mol:

101.03

Dipole, Da:

4.68

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.817827

Charge, e:

 1

Chem-info

IUPAC name:

1,5-dimethyl-4-phenyltetrazol-1-ium

Drug info:

PubChemData

Smile

CC1=[N+](N=NN1C2=CC=CC=C2)C

DOS

IR

Vibrations