Geometry & MOs

Info

ID:

410145

PubChem CID:

135082936

Reduced:

N2O3H21C22 (1)

Stoich.:

A2B3C21D22 (1)

Weight, g/mol:

162.042927

ΔHf, kcal/mol:

-34.36

Dipole, Da:

2.92

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.021120

Charge, e:

 0

Chem-info

IUPAC name:

4-acetyl-2-diazoniophenolate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)CC2=CC(=CC(=C2O)CC3=C(C=CC(=C3)C)O)[N+]#N

DOS

IR

Vibrations