Geometry & MOs

Info

ID:	338485
PubChem CID:	127259177
Reduced:	ClNO3C19H24 (1)
Stoich.:	ABC3D19E24 (1)
Weight, g/mol:	327.066221
ΔH_f, kcal/mol:	-119.81
Dipole, Da:	2.9
IP(EA), eV:	-8.59(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5-chloroquinolin-8-yl)oxy-phenylmethyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCCCCCCCCOC1=C2C(=C(C=C1)Cl)C=CC=N2

DOS

IR

Vibrations