Geometry & MOs

Info

ID:	338475
PubChem CID:	127259167
Reduced:	ClNO3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	293.081871
ΔH_f, kcal/mol:	-104.98
Dipole, Da:	0.88
IP(EA), eV:	-8.86(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloroquinolin-8-yl)oxybutan-2-yl acetate

Drug info:

PubChemData

Smile

CC(=O)OC(C)(C)OC1=C2C(=C(C=C1)Cl)C=CC=N2

DOS

IR

Vibrations