Geometry & MOs

Info

ID:	89145
PubChem CID:	49959669
Reduced:	BrClN2O2H14C18 (1)
Stoich.:	ABC2D2E14F18 (1)
Weight, g/mol:	407.98763
ΔH_f, kcal/mol:	28.92
Dipole, Da:	5.36
IP(EA), eV:	-8.98(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=NN=C(O2)/C=C/C3=CC=CC=C3Cl)Br

DOS

IR

Vibrations