Geometry & MOs

Info

ID:	338471
PubChem CID:	127259163
Reduced:	ClINO3H13C18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	404.96287
ΔH_f, kcal/mol:	-41.39
Dipole, Da:	1.93
IP(EA), eV:	-8.97(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-7-iodoquinolin-8-yl)oxypropyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC(C1=CC=CC=C1)OC2=C(C=C(C3=C2N=CC=C3)Cl)I

DOS

IR

Vibrations