Geometry & MOs

Info

ID:

14375

PubChem CID:

410497

Reduced:

SN2O6C9H11 (1)

Stoich.:

AB2C6D9E11 (1)

Weight, g/mol:

275.033782

ΔHf, kcal/mol:

-190.88

Dipole, Da:

7.6

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.907277

Charge, e:

 1

Chem-info

IUPAC name:

4-(2-carboxyethyl)benzenediazonium;sulfuric acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCC(=O)O)[N+]#N.OS(=O)(=O)O

DOS

IR

Vibrations