Geometry & MOs

Info

ID:	338483
PubChem CID:	127259175
Reduced:	ClNO3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	405.207072
ΔH_f, kcal/mol:	-100.22
Dipole, Da:	2.61
IP(EA), eV:	-8.68(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-(5-chloroquinolin-8-yl)oxydodecyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCCCCOC1=C2C(=C(C=C1)Cl)C=CC=N2

DOS

IR

Vibrations