Geometry & MOs

Info

ID:	89018
PubChem CID:	49958754
Reduced:	ClNOH5C6 (2)
Stoich.:	ABCD5E6 (2)
Weight, g/mol:	377.97707
ΔH_f, kcal/mol:	2.79
Dipole, Da:	5.07
IP(EA), eV:	-9.2(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=NN=C(O2)COC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations