Geometry & MOs

Info

ID:	248738
PubChem CID:	103084026
Reduced:	BrON2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	294.00039
ΔH_f, kcal/mol:	-11.48
Dipole, Da:	2.94
IP(EA), eV:	-9.39(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C(=NCCOC)N

DOS

IR

Vibrations