Geometry & MOs

Info

ID:	412091
PubChem CID:	135084957
Reduced:	IrPN2C29H33 (1)
Stoich.:	ABC2D29E33 (1)
Weight, g/mol:	487.121583
ΔH_f, kcal/mol:	208.82
Dipole, Da:	17.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.966126
Charge, e:	0

Chem-info

IUPAC name:

carbanide;chlororuthenium(1+);5,7-dimethylquinolin-8-ol;1,2,3,4,5,6-hexamethylbenzene

Drug info:

PubChemData

Smile

[CH3-].[CH3-].CN1[CH-]N(C2=CC=CC=C21)C.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Ir]

DOS

IR

Vibrations