Geometry & MOs

Info

ID:	89266
PubChem CID:	49960170
Reduced:	Br2Cl2N2O3H12C20 (1)
Stoich.:	A2B2C2D3E12F20 (1)
Weight, g/mol:	425.94015
ΔH_f, kcal/mol:	5.96
Dipole, Da:	2.58
IP(EA), eV:	-9.05(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)OCC2=NN=C(O2)COC3=C(C4=C(C=C3)C=C(C=C4)Br)Br

DOS

IR

Vibrations