Geometry & MOs

Info

ID:	89269
PubChem CID:	49960173
Reduced:	Br2N3O5H13C20 (1)
Stoich.:	A2B3C5D13E20 (1)
Weight, g/mol:	549.9562
ΔH_f, kcal/mol:	9.8
Dipole, Da:	7.31
IP(EA), eV:	-9.18(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[N+](=O)[O-])OCC2=NN=C(O2)COC3=C(C4=C(C=C3)C=C(C=C4)Br)Br

DOS

IR

Vibrations