Geometry & MOs

Info

ID:	89258
PubChem CID:	49960141
Reduced:	Br2N2O3H14C20 (1)
Stoich.:	A2B2C3D14E20 (1)
Weight, g/mol:	523.8961
ΔH_f, kcal/mol:	12.69
Dipole, Da:	4.94
IP(EA), eV:	-9.02(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN=C(O2)COC3=C(C4=C(C=C3)C=C(C=C4)Br)Br

DOS

IR

Vibrations