Geometry & MOs

Info

ID:	364585
PubChem CID:	127315837
Reduced:	SO2N3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	351.252192
ΔH_f, kcal/mol:	-25.94
Dipole, Da:	8.98
IP(EA), eV:	-9.31(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(methoxymethyl)piperidin-1-yl]-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCN(CC1CC1)CC2=NS(=O)(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations