Geometry & MOs

Info

ID:	412139
PubChem CID:	135085013
Reduced:	IrN4C11H20 (1)
Stoich.:	AB4C11D20 (1)
Weight, g/mol:	520.23037
ΔH_f, kcal/mol:	210.03
Dipole, Da:	22.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.821351
Charge, e:	-2

Chem-info

IUPAC name:

carbanide;1,3-dicyclohexyl-2H-imidazol-2-ide;iridium;pyridine

Drug info:

PubChemData

Smile

[CH3-].[CH3-].CN1[CH-]N(C=C1)CN2[CH-]N(C=C2)C.[Ir]

DOS

IR

Vibrations