Geometry & MOs

Info

ID:	296728
PubChem CID:	117590592
Reduced:	IrO6C15H21 (1)
Stoich.:	AB6C15D21 (1)
Weight, g/mol:	478.319543
ΔH_f, kcal/mol:	-158.13
Dipole, Da:	10.98
IP(EA), eV:	-9.91(-3.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-amino-2-butyl-1-benzofuran-3-yl)-[3-[3-(dibutylamino)propoxy]phenyl]methanone

Drug info:

PubChemData

Smile

C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Ir]

DOS

IR

Vibrations