Geometry & MOs

Info

ID:	89274
PubChem CID:	49960188
Reduced:	BrClN2O3H14C20 (1)
Stoich.:	ABC2D3E14F20 (1)
Weight, g/mol:	280.02113
ΔH_f, kcal/mol:	6.81
Dipole, Da:	3.05
IP(EA), eV:	-8.78(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-methylphenyl)-5-propyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2OCC3=NN=C(O3)COC4=C(C=C(C=C4)Br)Cl

DOS

IR

Vibrations