Geometry & MOs

Info

ID:	163677
PubChem CID:	58106644
Reduced:	FN3O3H30C37 (1)
Stoich.:	AB3C3D30E37 (1)
Weight, g/mol:	450.09575
ΔH_f, kcal/mol:	-22.88
Dipole, Da:	2.7
IP(EA), eV:	-8.96(0.0)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

5-[2-(3-ethyl-2H-imidazol-2-id-1-yl)propan-2-yl]-2-fluorobenzene-4-ide-1-carbonitrile;iridium

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC2=NC(=CC=C2)C(C3=CC=CC(=N3)CC4=CC=CC=C4O)(C5=CC=CC(=N5)CC6=CC=CC=C6O)F)O

DOS

IR

Vibrations