Geometry & MOs

Info

ID:

50306

PubChem CID:

12012823

Reduced:

ClH3C6N7 (1)

Stoich.:

AB3C6D7 (1)

Weight, g/mol:

208.013846

ΔHf, kcal/mol:

216.35

Dipole, Da:

3.7

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.975939

Charge, e:

 1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations