Geometry & MOs

Info

ID:	89037
PubChem CID:	49958838
Reduced:	ClNOH8C9 (2)
Stoich.:	ABCD8E9 (2)
Weight, g/mol:	344.01604
ΔH_f, kcal/mol:	-9.88
Dipole, Da:	3.89
IP(EA), eV:	-9.09(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=NN=C(O2)CCCOC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations