Geometry & MOs

Info

ID:

180938

PubChem CID:

76708316

Reduced:

IrN3C53H54 (1)

Stoich.:

AB3C53D54 (1)

Weight, g/mol:

1194.40867

ΔHf, kcal/mol:

572.61

Dipole, Da:

66.91

IP(EA), eV:

 -8.46(-5.19)

Spin(Sz, S2):

 None, None

Charge, e:

 -2

Chem-info

IUPAC name:

4-ethenyl-N-phenyl-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline;4-ethenyl-N-phenyl-N-[4-(3-pyridin-2-ylphenyl)phenyl]aniline;iridium;2-phenylpyridine

Drug info:

PubChemData

Smile

CC(C)(C)C12C3=[C-]C(=CC=C3)C4(C5=[C-]C(=CC=C5)C(C6=CC=CC(=N6)C(C7=CC=CC1=[C-]7)(C8=CC=CC4=N8)C(C)(C)C)([N+]9=CC=CC2=[C-]9)C(C)(C)C)C(C)(C)C.[Ir]

DOS

IR

Vibrations