Geometry & MOs

Info

ID:

341602

PubChem CID:

127264295

Reduced:

PdP3C63H66 (1)

Stoich.:

AB3C63D66 (1)

Weight, g/mol:

297.905615

ΔHf, kcal/mol:

210.64

Dipole, Da:

13.47

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.953166

Charge, e:

 2

Chem-info

IUPAC name:

carboxymethylazanide;chlororuthenium;methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[PH+](C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.CC1=CC=C(C=C1)[PH+](C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.CC1=CC=C(C=C1)[PH+](C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.[Pd]

DOS

IR

Vibrations