Geometry & MOs

Info

ID:	338484
PubChem CID:	127259176
Reduced:	ClNO3C23H32 (1)
Stoich.:	ABC3D23E32 (1)
Weight, g/mol:	349.144471
ΔH_f, kcal/mol:	-139.3
Dipole, Da:	2.11
IP(EA), eV:	-8.65(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(5-chloroquinolin-8-yl)oxyoctyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCCCCCCCCCCCCOC1=C2C(=C(C=C1)Cl)C=CC=N2

DOS

IR

Vibrations