Geometry & MOs

Info

ID:	9819
PubChem CID:	93528
Reduced:	ClNO3C18H22 (1)
Stoich.:	ABC3D18E22 (1)
Weight, g/mol:	335.128821
ΔH_f, kcal/mol:	-106.74
Dipole, Da:	2.05
IP(EA), eV:	-8.86(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations