Geometry & MOs

Info

ID:	272498
PubChem CID:	103744006
Reduced:	FN4O4H9C11 (1)
Stoich.:	AB4C4D9E11 (1)
Weight, g/mol:	309.01129
ΔH_f, kcal/mol:	-40.03
Dipole, Da:	5.09
IP(EA), eV:	-10.63(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)C(=O)NCCC2=NC=NO2)[N+](=O)[O-]

DOS

IR

Vibrations