Geometry & MOs

Info

ID:	180036
PubChem CID:	76569485
Reduced:	IrNOSH8C13 (1)
Stoich.:	ABCDE8F13 (1)
Weight, g/mol:	516.11372
ΔH_f, kcal/mol:	217.16
Dipole, Da:	3.55
IP(EA), eV:	-8.94(-5.31)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-hydroxypent-3-en-2-one;iridium;3-(1-methylimidazol-4-yl)-4-phenylpyrazol-1-ide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CO[C-]=C2C3=NC=CS3.[Ir]

DOS

IR

Vibrations