Geometry & MOs

Info

ID:	289377
PubChem CID:	104348044
Reduced:	SO3N4C13H20 (1)
Stoich.:	AB3C4D13E20 (1)
Weight, g/mol:	259.14331
ΔH_f, kcal/mol:	-111.47
Dipole, Da:	4.27
IP(EA), eV:	-8.48(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-amino-3-cyanopyridin-2-yl)piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1CCN(CC1)C2=CC(=CC(=C2)N)S(=O)(=O)N

DOS

IR

Vibrations