Geometry & MOs

Info

ID:	163703
PubChem CID:	58106734
Reduced:	FON3H20C24 (1)
Stoich.:	ABC3D20E24 (1)
Weight, g/mol:	414.04902
ΔH_f, kcal/mol:	23.63
Dipole, Da:	5.83
IP(EA), eV:	-8.7(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[2-(3-ethyl-1,2,4-triazol-1-yl)propan-2-yl]-5H-1,3-thiazol-5-ide;iridium

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C2=CC=CC(=N2)C(C3=CC=CC(=N3)C4=CC=C(C=C4)F)O

DOS

IR

Vibrations