Geometry & MOs

Info

ID:

22536

PubChem CID:

597573

Reduced:

BrN3O3H5C8 (1)

Stoich.:

AB3C3D5E8 (1)

Weight, g/mol:

269.95143

ΔHf, kcal/mol:

50.6

Dipole, Da:

4.92

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.910418

Charge, e:

 1

Chem-info

IUPAC name:

2-(4-bromo-3-nitrophenyl)-2-hydroxyethenediazonium

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=C[N+]#N)O)[N+](=O)[O-])Br

DOS

IR

Vibrations