Geometry & MOs

Info

ID:	125113
PubChem CID:	50910306
Reduced:	CuN8H24C40 (1)
Stoich.:	AB8C24D40 (1)
Weight, g/mol:	304.99062
ΔH_f, kcal/mol:	460.87
Dipole, Da:	7.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 3.059175
Charge, e:	1

Chem-info

IUPAC name:

carbanide;dipyridin-2-ylmethanone;palladium(2+)

Drug info:

PubChemData

Smile

C1=CC2=C(C3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C1[N-]2)C6=CC=NC=C6)C7=CC=NC=C7)C8=CC=NC=C8)C=C3)C9=CC=NC=C9.[Cu]

DOS

IR

Vibrations