Geometry & MOs

Info

ID:

401963

PubChem CID:

135053604

Reduced:

PdN2O2C12H15 (1)

Stoich.:

AB2C2D12E15 (1)

Weight, g/mol:

864.00058

ΔHf, kcal/mol:

87.46

Dipole, Da:

3.67

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.792831

Charge, e:

 -6

Chem-info

IUPAC name:

10H-benzo[h]quinolin-10-ide;5-hydroxypyrrolidin-1-id-2-one;palladium;acetate;chloride

Drug info:

PubChemData

Smile

[CH3-].COO.C1=CC=NC(=C1)C2=CC=CC=N2.[Pd]

DOS

IR

Vibrations