Geometry & MOs

Info

ID:	89253
PubChem CID:	49960136
Reduced:	Br2N3O4H11C19 (1)
Stoich.:	A2B3C4D11E19 (1)
Weight, g/mol:	585.88842
ΔH_f, kcal/mol:	57.38
Dipole, Da:	5.48
IP(EA), eV:	-9.09(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NN=C(O2)COC3=C(C4=C(C=C3)C=C(C=C4)Br)Br)[N+](=O)[O-]

DOS

IR

Vibrations