Geometry & MOs

Info

ID:

412649

PubChem CID:

135085546

Reduced:

IrNP2O4H41C52 (1)

Stoich.:

ABC2D4E41F52 (1)

Weight, g/mol:

589.2655

ΔHf, kcal/mol:

234.7

Dipole, Da:

17.39

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.164700

Charge, e:

 -1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[CH3-].C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)[PH+](C7=CC=CC=C7)C8=CC=CC=C8.C1=CC(=CC(=[C-]1)C(=O)O)[N+](=O)[O-].[Ir]

DOS

IR

Vibrations