Geometry & MOs

Info

ID:	406
PubChem CID:	2718
Reduced:	ClNO2H8C11 (1)
Stoich.:	ABC2D8E11 (1)
Weight, g/mol:	221.024356
ΔH_f, kcal/mol:	-41.65
Dipole, Da:	2.25
IP(EA), eV:	-9.12(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloroquinolin-8-yl) acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations