Geometry & MOs

Info

ID:	288076
PubChem CID:	104310450
Reduced:	BrFON4H8C13 (1)
Stoich.:	ABCD4E8F13 (1)
Weight, g/mol:	336.05857
ΔH_f, kcal/mol:	50.03
Dipole, Da:	6.65
IP(EA), eV:	-9.1(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromopyridin-2-yl)-5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N)C2=NC(=NO2)C3=NC=C(C=C3)Br)F

DOS

IR

Vibrations