Geometry & MOs

Info

ID:	89240
PubChem CID:	49960119
Reduced:	Br2N2O2H16C25 (1)
Stoich.:	A2B2C2D16E25 (1)
Weight, g/mol:	601.80661
ΔH_f, kcal/mol:	77.88
Dipole, Da:	2.86
IP(EA), eV:	-9.02(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN=C(O3)COC4=C(C5=C(C=C4)C=C(C=C5)Br)Br

DOS

IR

Vibrations