Geometry & MOs

Info

ID:	125142
PubChem CID:	50911447
Reduced:	CuC12N12H20 (1)
Stoich.:	AB12C12D20 (1)
Weight, g/mol:	658.21302
ΔH_f, kcal/mol:	239.32
Dipole, Da:	4.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.791453
Charge, e:	2

Chem-info

IUPAC name:

(1,3-diphenyl-3-phenyliminopropylidene)oxidanium;nickel

Drug info:

PubChemData

Smile

C1C[N-]CN(C[N-]CC[N-]CN(C[N-]1)C2=NC=NN2)C3=NC=NN3.[Cu+2]

DOS

IR

Vibrations