Geometry & MOs

Info

ID:	338477
PubChem CID:	127259169
Reduced:	NCl2O3H11C13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	309.076786
ΔH_f, kcal/mol:	-96.32
Dipole, Da:	0.56
IP(EA), eV:	-8.92(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-chloroquinolin-8-yl)oxy-2-ethoxyethyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC(CCl)OC1=C2C(=C(C=C1)Cl)C=CC=N2

DOS

IR

Vibrations