Geometry & MOs

Info

ID:	89248
PubChem CID:	49960128
Reduced:	Br2N2O3H18C26 (1)
Stoich.:	A2B2C3D18E26 (1)
Weight, g/mol:	531.98202
ΔH_f, kcal/mol:	42.17
Dipole, Da:	2.77
IP(EA), eV:	-9.07(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC3=NN=C(O3)COC4=C(C5=C(C=C4)C=C(C=C5)Br)Br

DOS

IR

Vibrations