Geometry & MOs

Info

ID:	338486
PubChem CID:	127259178
Reduced:	ClNO3H14C18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	279.066221
ΔH_f, kcal/mol:	-59.55
Dipole, Da:	2.05
IP(EA), eV:	-8.83(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloroquinolin-8-yl)oxypropyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC(C1=CC=CC=C1)OC2=C3C(=C(C=C2)Cl)C=CC=N3

DOS

IR

Vibrations