Geometry & MOs

Info

ID:	88996
PubChem CID:	49958613
Reduced:	BrClN2O3H12C16 (1)
Stoich.:	ABC2D3E12F16 (1)
Weight, g/mol:	300.066555
ΔH_f, kcal/mol:	-15.67
Dipole, Da:	3.94
IP(EA), eV:	-9.17(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NN=C(O2)COC3=CC=C(C=C3)Cl)Br

DOS

IR

Vibrations