Geometry & MOs

Info

ID:	22649
PubChem CID:	598203
Reduced:	BrN2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	282.00039
ΔH_f, kcal/mol:	-31.87
Dipole, Da:	4.11
IP(EA), eV:	-9.16(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazol-2-one

Drug info:

PubChemData

Smile

CC(C)C1=NN(C(=O)O1)C2=CC=C(C=C2)Br

DOS

IR

Vibrations