Geometry & MOs

Info

ID:	163667
PubChem CID:	58106623
Reduced:	FIrNOH15C17 (1)
Stoich.:	ABCDE15F17 (1)
Weight, g/mol:	473.07892
ΔH_f, kcal/mol:	98.32
Dipole, Da:	1.99
IP(EA), eV:	-8.83(-4.63)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[2-(3H-1-benzothiophen-3-id-2-yl)propan-2-yl]-6-ethylpyridine;iridium

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC(=N1)CF)C2=[C-]OC3=CC=CC=C32.[Ir]

DOS

IR

Vibrations