Geometry & MOs

Info

ID:

412665

PubChem CID:

135085577

Reduced:

IrNOPC62H77 (1)

Stoich.:

ABCDE62F77 (1)

Weight, g/mol:

610.076932

ΔHf, kcal/mol:

81.02

Dipole, Da:

44.69

IP(EA), eV:

 -8.67(-4.6)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

chloro(hydrido)ruthenium;2-(2-diphenylphosphaniumylethylamino)ethyl-diphenylphosphanium;methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1)[PH+](C2=CC=CC3=C2[C@@]4(CCC5=C4C(=CC=C5)C6=N[C@H](CO6)C7=CC=CC=C7)CC3)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)C(C)(C)C.C1CC=CCCC=C1.[Ir]

DOS

IR

Vibrations