Geometry & MOs

Info

ID:	163705
PubChem CID:	58106741
Reduced:	FIrN2H16C18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	413.05377
ΔH_f, kcal/mol:	190.69
Dipole, Da:	27.11
IP(EA), eV:	-9.04(-5.31)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-ethyl-1-[2-(2H-thiophen-2-id-3-yl)propan-2-yl]-1,2,4-triazole;iridium

Drug info:

PubChemData

Smile

CC(C)(C1=NC(=CN=C1)CF)C2=[C-]C=CC3=CC=CC=C32.[Ir]

DOS

IR

Vibrations