Geometry & MOs

Info

ID:

50302

PubChem CID:

12012819

Reduced:

ClH3C6N9 (1)

Stoich.:

AB3C6D9 (1)

Weight, g/mol:

237.027819

ΔHf, kcal/mol:

254.83

Dipole, Da:

6.12

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.629041

Charge, e:

 3

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations