Geometry & MOs

Info

ID:	288377
PubChem CID:	104315909
Reduced:	BrN3C8H10 (1)
Stoich.:	AB3C8D10 (1)
Weight, g/mol:	280.97999
ΔH_f, kcal/mol:	54.41
Dipole, Da:	2.25
IP(EA), eV:	-8.37(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(5-bromopyridin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one

Drug info:

PubChemData

Smile

CN(C)C(=N)C1=C(C=CC=N1)Br

DOS

IR

Vibrations