Geometry & MOs

Info

ID:	137714
PubChem CID:	52248913
Reduced:	ON2C20H32 (1)
Stoich.:	AB2C20D32 (1)
Weight, g/mol:	353.189889
ΔH_f, kcal/mol:	-64.41
Dipole, Da:	3.81
IP(EA), eV:	-8.58(0.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[4-[(3R)-3-methylpiperidin-1-ium-1-yl]butyl]-4-methylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1)C(=O)NCCCCN2CCC[C@@H](C2)C

DOS

IR

Vibrations