Geometry & MOs

Info

ID:

50300

PubChem CID:

12012817

Reduced:

Cl2H3C5N8 (1)

Stoich.:

A2B3C5D8 (1)

Weight, g/mol:

236.019994

ΔHf, kcal/mol:

212.52

Dipole, Da:

4.38

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.700186

Charge, e:

 2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1(=C(C(=NC(=C1Cl)N=[N+]=N)N=[N+]=N)Cl)[NH]

DOS

IR

Vibrations