Geometry & MOs

Info

ID:	89113
PubChem CID:	49959479
Reduced:	BrClN2O3H10C14 (1)
Stoich.:	ABC2D3E10F14 (1)
Weight, g/mol:	318.057134
ΔH_f, kcal/mol:	-4.97
Dipole, Da:	3.33
IP(EA), eV:	-9.05(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chloro-2-methylphenoxy)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OCC2=NN=C(O2)C3=CC=C(O3)Br

DOS

IR

Vibrations