Geometry & MOs

Info

ID:	89285
PubChem CID:	49960249
Reduced:	N2Br3O3H19C20 (1)
Stoich.:	A2B3C3D19E20 (1)
Weight, g/mol:	436.01893
ΔH_f, kcal/mol:	-57.13
Dipole, Da:	7.26
IP(EA), eV:	-8.66(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC2=NN=C(O2)COC3=C(C=C(C=C3)C(C)C)Br)Br)Br

DOS

IR

Vibrations