Geometry & MOs

Info

ID:	77740
PubChem CID:	49658798
Reduced:	FO3N5H14C19 (1)
Stoich.:	AB3C5D14E19 (1)
Weight, g/mol:	349.122655
ΔH_f, kcal/mol:	16.86
Dipole, Da:	6.35
IP(EA), eV:	-8.91(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-propylquinolin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2C(=C(N=N2)C3=NC(=NO3)C4=CC5=C(C=C4)OCO5)C)F

DOS

IR

Vibrations