Geometry & MOs

Info

ID:	89270
PubChem CID:	49960177
Reduced:	Br2N2O5H18C22 (1)
Stoich.:	A2B2C5D18E22 (1)
Weight, g/mol:	571.87277
ΔH_f, kcal/mol:	-55.75
Dipole, Da:	2.97
IP(EA), eV:	-8.53(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)COC3=C(C4=C(C=C3)C=C(C=C4)Br)Br

DOS

IR

Vibrations