Geometry & MOs

Info

ID:	89024
PubChem CID:	49958792
Reduced:	Br2O2N3H9C14 (1)
Stoich.:	A2B2C3D9E14 (1)
Weight, g/mol:	283.095691
ΔH_f, kcal/mol:	50.14
Dipole, Da:	3.75
IP(EA), eV:	-9.44(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methoxyphenoxy)methyl]-5-pyridin-4-yl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)Br)OCC2=NN=C(O2)C3=CC=NC=C3

DOS

IR

Vibrations