Geometry & MOs

Info

ID:	343042
PubChem CID:	127266215
Reduced:	SO3N4C13H20 (1)
Stoich.:	AB3C4D13E20 (1)
Weight, g/mol:	345.01243
ΔH_f, kcal/mol:	-101.14
Dipole, Da:	4.0
IP(EA), eV:	-8.71(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-3-fluoro-6-nitrophenyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC(=O)N1)CCCNC2=CC=CC=C2S(=O)(=O)N

DOS

IR

Vibrations