Geometry & MOs

Info

ID:

14965

PubChem CID:

425418

Reduced:

NO3C8H8 (1)

Stoich.:

AB3C8D8 (1)

Weight, g/mol:

166.050418

ΔHf, kcal/mol:

-48.68

Dipole, Da:

0.52

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.876479

Charge, e:

 1

Chem-info

IUPAC name:

8-oxo-3-azoniaspiro[2.5]octa-4,6-diene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C([N+]12C=CC=CC2=O)C(=O)O

DOS

IR

Vibrations