Geometry & MOs

Info

ID:	89262
PubChem CID:	49960154
Reduced:	Br2N2O3H16C21 (1)
Stoich.:	A2B2C3D16E21 (1)
Weight, g/mol:	489.93507
ΔH_f, kcal/mol:	13.74
Dipole, Da:	3.09
IP(EA), eV:	-9.03(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC2=NN=C(O2)COC3=C(C4=C(C=C3)C=C(C=C4)Br)Br

DOS

IR

Vibrations