Geometry & MOs

Info

ID:	89023
PubChem CID:	49958787
Reduced:	BrO2N3H10C14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	410.9041
ΔH_f, kcal/mol:	38.22
Dipole, Da:	4.81
IP(EA), eV:	-9.29(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NN=C(O2)C3=CC=NC=C3)Br

DOS

IR

Vibrations