Geometry & MOs

Info

ID:	174781
PubChem CID:	75813564
Reduced:	ON3C21H31 (1)
Stoich.:	AB3C21D31 (1)
Weight, g/mol:	298.195309
ΔH_f, kcal/mol:	-41.45
Dipole, Da:	5.47
IP(EA), eV:	-8.6(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(cyanomethylsulfanyl)-N-[4-(3,5-dimethylpiperidin-1-ium-1-yl)butyl]acetamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)CCCCNC(=O)CC2=CNC3=CC=CC=C32)C

DOS

IR

Vibrations