Geometry & MOs

Info

ID:	89255
PubChem CID:	49960138
Reduced:	N2Br3O3H13C20 (1)
Stoich.:	A2B3C3D13E20 (1)
Weight, g/mol:	527.84656
ΔH_f, kcal/mol:	18.09
Dipole, Da:	5.87
IP(EA), eV:	-9.0(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations