Geometry & MOs

Info

ID:	180401
PubChem CID:	76628359
Reduced:	PtN10H18C26 (1)
Stoich.:	AB10C18D26 (1)
Weight, g/mol:	529.113
ΔH_f, kcal/mol:	444.28
Dipole, Da:	7.57
IP(EA), eV:	-9.65(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10H-benzo[h]quinolin-10-ide;iridium(3+);1-methyl-3-phenyl-2H-imidazol-2-ide

Drug info:

PubChemData

Smile

CC(C)(C1=NC(=CC=C1)N2[C-]=NC(=C2[N+]#[C-])[N+]#[C-])C(C)(C)C3=NC(=CC=C3)N4[C-]=NC(=C4[N+]#[C-])[N+]#[C-].[Pt+2]

DOS

IR

Vibrations