Geometry & MOs

Info

ID:	89282
PubChem CID:	49960245
Reduced:	BrN2O2C15H17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	481.96637
ΔH_f, kcal/mol:	4.77
Dipole, Da:	5.05
IP(EA), eV:	-9.04(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromophenoxy)methyl]-5-[(2-bromo-4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)OCC2=NN=C(O2)C3CC3)Br

DOS

IR

Vibrations