Geometry & MOs

Info

ID:	288075
PubChem CID:	104310447
Reduced:	BrON4C12H15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	333.98655
ΔH_f, kcal/mol:	50.42
Dipole, Da:	5.01
IP(EA), eV:	-9.56(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(5-bromopyridin-2-yl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline

Drug info:

PubChemData

Smile

C1=CC(=NC=C1Br)C2=NOC(=N2)CCCCCN

DOS

IR

Vibrations