Geometry & MOs

Info

ID:

225021

PubChem CID:

85735585

Reduced:

N2O2C12H17 (1)

Stoich.:

A2B2C12D17 (1)

Weight, g/mol:

224.01433

ΔHf, kcal/mol:

2.87

Dipole, Da:

6.45

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.769764

Charge, e:

 0

Chem-info

IUPAC name:

4-oxo-3H-naphthalene-1-sulfonic acid

Drug info:

PubChemData

Smile

C=C=CC(C1CCCCC1)OC(=C[N+]#N)O

DOS

IR

Vibrations