Geometry & MOs

Info

ID:	89318
PubChem CID:	49960464
Reduced:	Br2N2O3H18C19 (1)
Stoich.:	A2B2C3D18E19 (1)
Weight, g/mol:	230.141913
ΔH_f, kcal/mol:	-23.06
Dipole, Da:	7.97
IP(EA), eV:	-9.01(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenyl)-5-ethyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=NN=C(O2)COC3=C(C=C(C=C3)Br)C)Br

DOS

IR

Vibrations