Geometry & MOs

Info

ID:

133521

PubChem CID:

51538825

Reduced:

BrNO2H3C5 (1)

Stoich.:

ABC2D3E5 (1)

Weight, g/mol:

303.92191

ΔHf, kcal/mol:

-30.13

Dipole, Da:

4.03

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.769838

Charge, e:

 -1

Chem-info

IUPAC name:

4-iodo-6-nitro-1H-indazol-3-olate

Drug info:

PubChemData

Smile

C1=CNC(=C(C1=O)Br)[O-]

DOS

IR

Vibrations