Geometry & MOs

Info

ID:	163704
PubChem CID:	58106737
Reduced:	IrSN4C10H13 (1)
Stoich.:	ABC4D10E13 (1)
Weight, g/mol:	472.09268
ΔH_f, kcal/mol:	169.94
Dipole, Da:	26.73
IP(EA), eV:	-9.25(-5.94)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(fluoromethyl)-6-[2-(2H-naphthalen-2-id-1-yl)propan-2-yl]pyrazine;iridium

Drug info:

PubChemData

Smile

CCC1=NN(C=N1)C(C)(C)C2=[C-]SC=N2.[Ir]

DOS

IR

Vibrations