Geometry & MOs

Info

ID:	89272
PubChem CID:	49960181
Reduced:	Br2N2O3H10C17 (1)
Stoich.:	A2B2C3D10E17 (1)
Weight, g/mol:	346.131742
ΔH_f, kcal/mol:	25.43
Dipole, Da:	4.54
IP(EA), eV:	-8.96(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methoxyphenyl)methyl]-5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=COC(=C1)C2=NN=C(O2)COC3=C(C4=C(C=C3)C=C(C=C4)Br)Br

DOS

IR

Vibrations