Geometry & MOs

Info

ID:

413945

PubChem CID:

135086896

Reduced:

N2O2H7C8 (1)

Stoich.:

A2B2C7D8 (1)

Weight, g/mol:

279.98474

ΔHf, kcal/mol:

-18.42

Dipole, Da:

2.71

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.002400

Charge, e:

 0

Chem-info

IUPAC name:

(1Z,3E)-4-(4-bromophenyl)-2-diazonio-1-methoxybuta-1,3-dien-1-olate

Drug info:

PubChemData

Smile

COC(=O)[N+]1=CC=CC(=C1)C#N

DOS

IR

Vibrations