Geometry & MOs

Info

ID:	180409
PubChem CID:	76629002
Reduced:	AlN2O3H29C35 (1)
Stoich.:	AB2C3D29E35 (1)
Weight, g/mol:	627.0844
ΔH_f, kcal/mol:	-97.66
Dipole, Da:	5.02
IP(EA), eV:	-8.26(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(3H-1-benzothiophen-3-id-2-yl)pyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;iridium

Drug info:

PubChemData

Smile

CC1=NC2=C(C=CC=C2O[Al](OC3=CC=C(C=C3)C4=CC(=CC=C4)C(=C)C)OC5=CC=CC6=C5N=C(C=C6)C)C=C1

DOS

IR

Vibrations