Geometry & MOs

Info

ID:	89156
PubChem CID:	49959694
Reduced:	BrN2O3H11C14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	467.95072
ΔH_f, kcal/mol:	0.27
Dipole, Da:	3.85
IP(EA), eV:	-9.03(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=NN=C(O2)C3=CC=CO3)Br

DOS

IR

Vibrations