Geometry & MOs

Info

ID:	77741
PubChem CID:	49658805
Reduced:	FO2N3H16C20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	393.112484
ΔH_f, kcal/mol:	-0.91
Dipole, Da:	9.85
IP(EA), eV:	-9.07(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-fluoro-1-propylquinolin-4-one

Drug info:

PubChemData

Smile

CCCN1C=C(C(=O)C2=C1C=CC(=C2)F)C3=NC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations