Geometry & MOs

Info

ID:	89144
PubChem CID:	49959668
Reduced:	ClBr2N2O3H13C17 (1)
Stoich.:	AB2C2D3E13F17 (1)
Weight, g/mol:	403.99272
ΔH_f, kcal/mol:	-10.39
Dipole, Da:	6.0
IP(EA), eV:	-9.04(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-4-methylphenoxy)methyl]-5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=NN=C(O2)COC3=C(C=C(C=C3)Cl)Br)Br

DOS

IR

Vibrations