Geometry & MOs

Info

ID:	338473
PubChem CID:	127259165
Reduced:	ClNO3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	321.113171
ΔH_f, kcal/mol:	-104.6
Dipole, Da:	1.82
IP(EA), eV:	-8.78(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-chloroquinolin-8-yl)oxy-4-methylpentan-2-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC(C)(C)COC1=C2C(=C(C=C1)Cl)C=CC=N2

DOS

IR

Vibrations