Geometry & MOs

Info

ID:	180410
PubChem CID:	76629003
Reduced:	IrNSO2H20C28 (1)
Stoich.:	ABCD2E20F28 (1)
Weight, g/mol:	373.04425
ΔH_f, kcal/mol:	222.74
Dipole, Da:	12.0
IP(EA), eV:	-9.17(-5.65)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(3-ethenylbenzene-6-id-1-yl)pyridine;iridium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=CC(=O)C2=CC=CC=C2)O.C1=CC=C2C(=C1)[C-]=C(S2)C3=CC=CC=N3.[Ir]

DOS

IR

Vibrations