Geometry & MOs

Info

ID:	206123
PubChem CID:	80208255
Reduced:	BrN2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	333.98655
ΔH_f, kcal/mol:	5.27
Dipole, Da:	1.31
IP(EA), eV:	-9.76(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCC(C1=CC(=CN=C1)Br)N

DOS

IR

Vibrations