Geometry & MOs

Info

ID:

411725

PubChem CID:

135084559

Reduced:

NNiO2H12C17 (2)

Stoich.:

ABC2D12E17 (2)

Weight, g/mol:

866.21174

ΔHf, kcal/mol:

116.12

Dipole, Da:

5.42

IP(EA), eV:

 -7.52(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

[4-[5-bis(3,5-dimethylphenyl)phosphaniumyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphanium;palladium;dihydrate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C(C=CC2=C1)N/C=C/3\C(=O)C(=CC=C3)O)C4=C(C=CC5=CC=CC=C45)N/C=C/6\C(=O)C(=CC=C6)O.[Ni+2].[Ni+2]

DOS

IR

Vibrations