Geometry & MOs

Info

ID:

411781

PubChem CID:

135084626

Reduced:

PPdCl2N2H16C17 (1)

Stoich.:

ABC2D2E16F17 (1)

Weight, g/mol:

889.343594

ΔHf, kcal/mol:

165.25

Dipole, Da:

5.13

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.881951

Charge, e:

 4

Chem-info

IUPAC name:

cycloocta-1,5-diene;[6-(2,2-dimethylpropanoylamino)-1-methylpyridin-1-ium-2-yl]-diphenylphosphanium;(1-methoxyisoquinolin-2-ium-3-yl)-diphenylphosphanium;nickel

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)NC3=CC=CC=N3.Cl[Pd]Cl

DOS

IR

Vibrations