Geometry & MOs

Info

ID:	89263
PubChem CID:	49960158
Reduced:	Br2N2O3H14C20 (1)
Stoich.:	A2B2C3D14E20 (1)
Weight, g/mol:	549.89466
ΔH_f, kcal/mol:	17.85
Dipole, Da:	2.86
IP(EA), eV:	-8.99(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC2=NN=C(O2)COC3=C(C4=C(C=C3)C=C(C=C4)Br)Br

DOS

IR

Vibrations