Geometry & MOs

Info

ID:

50301

PubChem CID:

12012818

Reduced:

ClH3C6N9 (1)

Stoich.:

AB3C6D9 (1)

Weight, g/mol:

236.019994

ΔHf, kcal/mol:

254.42

Dipole, Da:

2.63

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.513006

Charge, e:

 2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C(#N)C1=C(C(=C(N=C1N=[N+]=N)[NH])Cl)N=[N+]=N

DOS

IR

Vibrations