Geometry & MOs

Info

ID:	89256
PubChem CID:	49960139
Reduced:	Br2Cl2N2O2H10C19 (1)
Stoich.:	A2B2C2D2E10F19 (1)
Weight, g/mol:	585.82115
ΔH_f, kcal/mol:	37.93
Dipole, Da:	3.38
IP(EA), eV:	-8.98(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)C2=NN=C(O2)COC3=C(C4=C(C=C3)C=C(C=C4)Br)Br

DOS

IR

Vibrations