Geometry & MOs

Info

ID:	181685
PubChem CID:	76776037
Reduced:	ClO7N9C35H46 (1)
Stoich.:	AB7C9D35E46 (1)
Weight, g/mol:	578.1334
ΔH_f, kcal/mol:	-100.23
Dipole, Da:	7.45
IP(EA), eV:	-9.26(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-(9,9-dimethylfluoren-3-yl)-2-phenylbenzimidazole;iridium

Drug info:

PubChemData

Smile

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OC(C)OC(=O)OCCCCCON=[N+](N(C)C(C)(C)C)[O-])Cl

DOS

IR

Vibrations