Geometry & MOs

Info

ID:	12273
PubChem CID:	133980
Reduced:	CuCl2N6O8C12H16 (1)
Stoich.:	AB2C6D8E12F16 (1)
Weight, g/mol:	504.970264
ΔH_f, kcal/mol:	156.17
Dipole, Da:	15.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.766771
Charge, e:	0

Chem-info

IUPAC name:

copper;1-(1H-imidazol-2-yl)-N-[4-(1H-imidazol-2-ylmethylideneamino)butyl]methanimine;diperchlorate

Drug info:

PubChemData

Smile

C1=CN=C(N1)C=NCCCCN=CC2=NC=CN2.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Cu+2]

DOS

IR

Vibrations