Geometry & MOs

Info

ID:	168370
PubChem CID:	74958461
Reduced:	BrO2N3H12C17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	1411.3999
ΔH_f, kcal/mol:	30.15
Dipole, Da:	5.3
IP(EA), eV:	-8.88(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6,11-di(carbazol-9-yl)-5H-phenanthro[9,10-b]pyrazin-5-ide;iridium(3+);pentane-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N)C2=NC(=O)C3C(=N2)C4=C(O3)C=CC(=C4)Br

DOS

IR

Vibrations