Geometry & MOs

Info

ID:

412651

PubChem CID:

135085555

Reduced:

IrN2O3C13H17 (1)

Stoich.:

AB2C3D13E17 (1)

Weight, g/mol:

1031.387504

ΔHf, kcal/mol:

-12.72

Dipole, Da:

12.86

IP(EA), eV:

 -8.24(-3.01)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

carbanide;3-[[[(1R,2R)-2-[[3-hydroxy-4-(2-phenylnaphthalen-1-yl)naphthalen-2-yl]methylamino]-1,2-diphenylethyl]amino]methyl]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-ol;iron;methanol

Drug info:

PubChemData

Smile

[CH3-].COC1=CC(=NC=C1)C2=NC=CC(=C2)OC.O.[Ir]

DOS

IR

Vibrations