Geometry & MOs

Info

ID:

50307

PubChem CID:

12012824

Reduced:

ClH3C6N7 (1)

Stoich.:

AB3C6D7 (1)

Weight, g/mol:

180.007698

ΔHf, kcal/mol:

226.37

Dipole, Da:

3.84

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.102686

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C(#N)C1=C(C(=C(N=C1[NH])[NH])Cl)N=[N+]=N

DOS

IR

Vibrations