Geometry & MOs

Info

ID:	412140
PubChem CID:	135085014
Reduced:	IrN3C21H33 (1)
Stoich.:	AB3C21D33 (1)
Weight, g/mol:	563.342624
ΔH_f, kcal/mol:	195.66
Dipole, Da:	11.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.899876
Charge, e:	1

Chem-info

IUPAC name:

(4S,5S)-1-(5-tert-butyl-2-phenylphenyl)-3-(2-methyl-6-propan-2-ylphenyl)-4,5-diphenyl-4,5-dihydroimidazol-3-ium

Drug info:

PubChemData

Smile

[CH3-].C1CCC(CC1)N2[CH-]N(C=C2)C3CCCCC3.C1=CC=NC=C1.[Ir]

DOS

IR

Vibrations