Geometry & MOs

Info

ID:	338470
PubChem CID:	127259162
Reduced:	ClINO3H9C12 (1)
Stoich.:	ABCD3E9F12 (1)
Weight, g/mol:	452.96287
ΔH_f, kcal/mol:	-68.15
Dipole, Da:	2.3
IP(EA), eV:	-8.93(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5-chloro-7-iodoquinolin-8-yl)oxy-phenylmethyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCOC1=C(C=C(C2=C1N=CC=C2)Cl)I

DOS

IR

Vibrations