Geometry & MOs

Info

ID:	329946
PubChem CID:	127246933
Reduced:	SO2N4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	-17.98
Dipole, Da:	6.24
IP(EA), eV:	-8.96(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2S(=O)(=O)CC3=CC=CC=C3

DOS

IR

Vibrations