Geometry & MOs

Info

ID:	260520
PubChem CID:	103194326
Reduced:	SO3N4C13H20 (1)
Stoich.:	AB3C4D13E20 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	-106.09
Dipole, Da:	3.92
IP(EA), eV:	-9.08(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-3-cyanophenyl)-N-methylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CCCN(C1)C2=C(C=CC(=C2)S(=O)(=O)N)N

DOS

IR

Vibrations