Geometry & MOs

Info

ID:	89087
PubChem CID:	49959265
Reduced:	BrN2O3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	388.04226
ΔH_f, kcal/mol:	-25.54
Dipole, Da:	1.7
IP(EA), eV:	-9.08(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC2=NN=C(O2)COC3=C(C=C(C=C3C)Br)C

DOS

IR

Vibrations