Geometry & MOs

Info

ID:	89039
PubChem CID:	49958841
Reduced:	ON2H16C20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	437.94015
ΔH_f, kcal/mol:	68.69
Dipole, Da:	4.21
IP(EA), eV:	-9.01(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-5-[(2,4-dibromo-6-methylphenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=NN=C(O2)CC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations