Geometry & MOs

Info

ID:	24884
PubChem CID:	614227
Reduced:	SN2O2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	264.093249
ΔH_f, kcal/mol:	-42.73
Dipole, Da:	7.0
IP(EA), eV:	-9.49(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]acetonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2CC#N

DOS

IR

Vibrations