Geometry & MOs

Info

ID:	130004
PubChem CID:	51074580
Reduced:	ON3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	335.166748
ΔH_f, kcal/mol:	-3.64
Dipole, Da:	8.75
IP(EA), eV:	-8.88(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCN(CC2)CC3=CC=C(C=C3)C#N

DOS

IR

Vibrations