Geometry & MOs

Info

ID:	272504
PubChem CID:	103744027
Reduced:	BrN3O3C12H12 (1)
Stoich.:	AB3C3D12E12 (1)
Weight, g/mol:	249.091355
ΔH_f, kcal/mol:	-34.89
Dipole, Da:	3.45
IP(EA), eV:	-9.27(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)Br)C(=O)NCCC2=NC=NO2

DOS

IR

Vibrations