Geometry & MOs

Info

ID:	329227
PubChem CID:	126732639
Reduced:	ON4C22H44 (1)
Stoich.:	AB4C22D44 (1)
Weight, g/mol:	501.90391
ΔH_f, kcal/mol:	-64.91
Dipole, Da:	1.42
IP(EA), eV:	-8.13(2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(anilinomethyl)-5,7-diiodoquinolin-8-ol

Drug info:

PubChemData

Smile

CC(C)(C)N1CCC2(C1)COC2CC(C)(C)N3CCN(CC3)CCN(C)C

DOS

IR

Vibrations