Geometry & MOs

Info

ID:	89246
PubChem CID:	49960125
Reduced:	Br2N2O3H16C22 (1)
Stoich.:	A2B2C3D16E22 (1)
Weight, g/mol:	517.96637
ΔH_f, kcal/mol:	26.47
Dipole, Da:	6.81
IP(EA), eV:	-8.92(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations