Geometry & MOs

Info

ID:

11038

PubChem CID:

110168

Reduced:

N4O4H13C18 (1)

Stoich.:

A4B4C13D18 (1)

Weight, g/mol:

349.09368

ΔHf, kcal/mol:

-3.91

Dipole, Da:

4.81

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.633175

Charge, e:

 1

Chem-info

IUPAC name:

4-[(3-carboxy-4-hydroxyphenyl)diazenyl]-2-methoxynaphthalene-1-diazonium

Drug info:

PubChemData

Smile

COC1=C(C2=CC=CC=C2C(=C1)N=NC3=CC(=C(C=C3)O)C(=O)O)[N+]#N

DOS

IR

Vibrations