Geometry & MOs

Info

ID:	89260
PubChem CID:	49960145
Reduced:	ClBr2N2O2H11C19 (1)
Stoich.:	AB2C2D2E11F19 (1)
Weight, g/mol:	503.95072
ΔH_f, kcal/mol:	46.94
Dipole, Da:	4.26
IP(EA), eV:	-8.98(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,6-dibromonaphthalen-2-yl)oxymethyl]-5-[(3-methylphenoxy)methyl]-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)Cl

DOS

IR

Vibrations