Geometry & MOs

Info

ID:	314863
PubChem CID:	126623820
Reduced:	FSN2O4C15H15 (1)
Stoich.:	ABC2D4E15F15 (1)
Weight, g/mol:	297.04767
ΔH_f, kcal/mol:	-180.33
Dipole, Da:	4.94
IP(EA), eV:	-8.96(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-[[(3R)-piperidin-3-yl]methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@H](CN[C@@H]1C(=O)NC2=CC3=C(C=C2)C(=CC=C3)S(=O)(=O)O)F

DOS

IR

Vibrations