Geometry & MOs

Info

ID:	303234
PubChem CID:	124489394
Reduced:	SO2N4C11H20 (1)
Stoich.:	AB2C4D11E20 (1)
Weight, g/mol:	279.104148
ΔH_f, kcal/mol:	-66.73
Dipole, Da:	3.71
IP(EA), eV:	-8.67(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)S(=O)(=O)N2CC[C@H](C2)CNC

DOS

IR

Vibrations