Geometry & MOs

Info

ID:	361063
PubChem CID:	127301953
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	379.192963
ΔH_f, kcal/mol:	-123.51
Dipole, Da:	6.23
IP(EA), eV:	-8.15(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-N-[(1-ethylpiperidin-2-yl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1CCCCC1CNC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations