Geometry & MOs

Info

ID:	304385
PubChem CID:	124572623
Reduced:	N3O3C17H25 (1)
Stoich.:	A3B3C17D25 (1)
Weight, g/mol:	279.104148
ΔH_f, kcal/mol:	-111.9
Dipole, Da:	1.91
IP(EA), eV:	-8.77(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbenzonitrile

Drug info:

PubChemData

Smile

C[C@@H]1CN(C2=CC=CC=C2N(C1)CC(=O)NCCC(=O)OC)C

DOS

IR

Vibrations