Geometry & MOs

Info

ID:	338467
PubChem CID:	127259159
Reduced:	INCl2O3H10C13 (1)
Stoich.:	ABC2D3E10F13 (1)
Weight, g/mol:	531.10372
ΔH_f, kcal/mol:	-79.09
Dipole, Da:	3.04
IP(EA), eV:	-9.03(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-(5-chloro-7-iodoquinolin-8-yl)oxydodecyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC(CCl)OC1=C(C=C(C2=C1N=CC=C2)Cl)I

DOS

IR

Vibrations