Geometry & MOs

Info

ID:	303235
PubChem CID:	124489395
Reduced:	SO2N3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	279.104148
ΔH_f, kcal/mol:	-24.69
Dipole, Da:	2.25
IP(EA), eV:	-9.06(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbenzonitrile

Drug info:

PubChemData

Smile

CNC[C@@H]1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations