Geometry & MOs

Info

ID:

408962

PubChem CID:

135081735

Reduced:

IrNPC25H37 (1)

Stoich.:

ABCD25E37 (1)

Weight, g/mol:

966.20572

ΔHf, kcal/mol:

95.58

Dipole, Da:

25.99

IP(EA), eV:

 -8.9(-4.62)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

(1Z,5Z)-cycloocta-1,5-diene;[1-[(2-diphenylphosphanyloxynaphthalen-1-yl)methyl]naphthalen-2-yl]oxy-diphenylphosphane;rhodium;tetrafluoroborate

Drug info:

PubChemData

Smile

CC(P(C(C)C)C1=C([CH-]C2=CC=CC=C12)N(C)C)C.C1/C=C\CC/C=C\C1.[Ir]

DOS

IR

Vibrations