Geometry & MOs

Info

ID:	126684
PubChem CID:	50973093
Reduced:	O2N4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	276.150764
ΔH_f, kcal/mol:	27.37
Dipole, Da:	5.08
IP(EA), eV:	-8.81(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylpiperidin-2-yl)-N-(2-methylsulfonylethyl)propanamide

Drug info:

PubChemData

Smile

C1CC1C2=NN(C(=N2)C3CC(=O)N(C3)C4=CC(=CC=C4)O)C5=CC=CC=C5

DOS

IR

Vibrations