Geometry & MOs

Info

ID:	338466
PubChem CID:	127259158
Reduced:	ClINO3C15H15 (1)
Stoich.:	ABCD3E15F15 (1)
Weight, g/mol:	424.90825
ΔH_f, kcal/mol:	-87.54
Dipole, Da:	3.77
IP(EA), eV:	-8.82(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-chloro-1-(5-chloro-7-iodoquinolin-8-yl)oxyethyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC(C)(C)COC1=C(C=C(C2=C1N=CC=C2)Cl)I

DOS

IR

Vibrations