Geometry & MOs

Info

ID:	288390
PubChem CID:	104316128
Reduced:	BrO2N4C12H15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	339.99934
ΔH_f, kcal/mol:	15.32
Dipole, Da:	2.96
IP(EA), eV:	-9.21(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3-bromopyridin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine

Drug info:

PubChemData

Smile

CNC(CC1=NC(=NO1)C2=C(C=CC=N2)Br)COC

DOS

IR

Vibrations