Geometry & MOs

Info

ID:	131325
PubChem CID:	51191144
Reduced:	OSN3C17H23 (1)
Stoich.:	ABC3D17E23 (1)
Weight, g/mol:	325.134779
ΔH_f, kcal/mol:	-15.68
Dipole, Da:	4.79
IP(EA), eV:	-8.68(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylpiperidin-1-yl)-2-(4-methylsulfonylphenoxy)propan-1-one

Drug info:

PubChemData

Smile

CCCC(C)NC(=O)CSC1=NC=C(N1C)C2=CC=CC=C2

DOS

IR

Vibrations