Geometry & MOs

Info

ID:

410032

PubChem CID:

135082821

Reduced:

N2O2H9C13 (1)

Stoich.:

A2B2C9D13 (1)

Weight, g/mol:

177.053826

ΔHf, kcal/mol:

34.13

Dipole, Da:

7.01

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.830677

Charge, e:

 0

Chem-info

IUPAC name:

2-diazonio-4-(methylcarbamoyl)phenolate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)O)[N+]#N

DOS

IR

Vibrations