Geometry & MOs

Info

ID:	89252
PubChem CID:	49960135
Reduced:	Br2N3O4H11C19 (1)
Stoich.:	A2B3C4D11E19 (1)
Weight, g/mol:	504.90958
ΔH_f, kcal/mol:	52.27
Dipole, Da:	5.37
IP(EA), eV:	-9.17(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NN=C(O2)COC3=C(C4=C(C=C3)C=C(C=C4)Br)Br)[N+](=O)[O-]

DOS

IR

Vibrations