Geometry & MOs

Info

ID:

125661

PubChem CID:

50932718

Reduced:

ClCuO4N6C13H21 (1)

Stoich.:

ABC4D6E13F21 (1)

Weight, g/mol:

296.03257

ΔHf, kcal/mol:

95.83

Dipole, Da:

2.38

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.919919

Charge, e:

 -1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CC(NC1)C2C=CC=C([N-]2)C3CCCN3.[N-]=[N+]=[N-].OCl(=O)(=O)=O.[Cu]

DOS

IR

Vibrations