Geometry & MOs

Info

ID:	163172
PubChem CID:	57653839
Reduced:	IrN3C13H16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	918.27212
ΔH_f, kcal/mol:	173.13
Dipole, Da:	20.89
IP(EA), eV:	-9.93(-4.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,8-bis[2,4,6-tris(4-fluorophenyl)phenyl]fluoranthene

Drug info:

PubChemData

Smile

[CH3-].[CH3-].CN1[CH-]N(C=C1)C2=CC=C(C=C2)C#N.[Ir+3]

DOS

IR

Vibrations