Geometry & MOs

Info

ID:	89293
PubChem CID:	49960313
Reduced:	N2O3H18C22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	515.9274
ΔH_f, kcal/mol:	14.91
Dipole, Da:	6.39
IP(EA), eV:	-8.85(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-4-chlorophenoxy)methyl]-5-[(2-bromo-4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=NN=C(O2)COC3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations