Geometry & MOs

Info

ID:	209426
PubChem CID:	80671769
Reduced:	BrN2O2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	334.99909
ΔH_f, kcal/mol:	-31.05
Dipole, Da:	4.09
IP(EA), eV:	-9.9(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine

Drug info:

PubChemData

Smile

CN(CC(COC)Br)C(=O)C1=CC=CC(=C1)C#N

DOS

IR

Vibrations