Geometry & MOs

Info

ID:	89264
PubChem CID:	49960163
Reduced:	Br2N4O6H10C19 (1)
Stoich.:	A2B4C6D10E19 (1)
Weight, g/mol:	465.88092
ΔH_f, kcal/mol:	53.24
Dipole, Da:	5.2
IP(EA), eV:	-9.17(-2.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,6-dibromonaphthalen-2-yl)oxymethyl]-5-thiophen-2-yl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2Br)OCC3=NN=C(O3)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C=C1Br

DOS

IR

Vibrations