Geometry & MOs

Info

ID:	303240
PubChem CID:	124489401
Reduced:	SO2N3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	293.119798
ΔH_f, kcal/mol:	-33.89
Dipole, Da:	4.77
IP(EA), eV:	-9.01(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylmethyl]benzonitrile

Drug info:

PubChemData

Smile

CNC[C@@H]1CCN(C1)S(=O)(=O)CC2=CC(=CC=C2)C#N

DOS

IR

Vibrations