Geometry & MOs

Info

ID:	89311
PubChem CID:	49960438
Reduced:	BrN2O2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	420.02402
ΔH_f, kcal/mol:	-20.07
Dipole, Da:	4.15
IP(EA), eV:	-9.09(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-4-chlorophenoxy)methyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CCCC1=NN=C(O1)COC2=C(C=C(C=C2)Br)C

DOS

IR

Vibrations