Geometry & MOs

Info

ID:	180037
PubChem CID:	76569486
Reduced:	IrO2N4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	228.137497
ΔH_f, kcal/mol:	186.92
Dipole, Da:	29.6
IP(EA), eV:	-9.62(-7.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-(4-phenylpyrazolidin-3-yl)imidazole

Drug info:

PubChemData

Smile

CC(=CC(=O)C)O.CN1C=C(N=C1)C2=N[N-]C=C2C3=CC=CC=C3.[Ir]

DOS

IR

Vibrations