Geometry & MOs

Info

ID:	89268
PubChem CID:	49960172
Reduced:	Br2N2O3H16C21 (1)
Stoich.:	A2B2C3D16E21 (1)
Weight, g/mol:	534.92015
ΔH_f, kcal/mol:	7.05
Dipole, Da:	5.01
IP(EA), eV:	-8.93(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=NN=C(O2)COC3=C(C4=C(C=C3)C=C(C=C4)Br)Br

DOS

IR

Vibrations