Geometry & MOs

Info

ID:	288099
PubChem CID:	104311124
Reduced:	Br2O2N4C11H12 (1)
Stoich.:	A2B2C4D11E12 (1)
Weight, g/mol:	415.87651
ΔH_f, kcal/mol:	20.02
Dipole, Da:	3.33
IP(EA), eV:	-9.53(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3,5-dibromopyridin-2-yl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine

Drug info:

PubChemData

Smile

COCCC(C1=NC(=NO1)C2=C(C=C(C=N2)Br)Br)N

DOS

IR

Vibrations