Geometry & MOs

Info

ID:	125362
PubChem CID:	50921078
Reduced:	Cd4N4O5C12H26 (1)
Stoich.:	A4B4C5D12E26 (1)
Weight, g/mol:	764.32504
ΔH_f, kcal/mol:	-247.56
Dipole, Da:	14.75
IP(EA), eV:	-5.71(0.46)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

copper;acetonitrile;4-[[4,8,11-tris[(4-cyanophenyl)methyl]-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

C1CC(C[N-]C1)C(O)O.C1C(=CC=C[N-]1)C(O)O.[NH2-].[NH2-].O.[Cd].[Cd].[Cd].[Cd+2]

DOS

IR

Vibrations