Geometry & MOs

Info

ID:	274458
PubChem CID:	103809466
Reduced:	ClOSN2C13H19 (1)
Stoich.:	ABCD2E13F19 (1)
Weight, g/mol:	274.054277
ΔH_f, kcal/mol:	-40.14
Dipole, Da:	3.34
IP(EA), eV:	-9.29(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydroxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)(CN)C(=O)NCCC2=CC=C(S2)Cl

DOS

IR

Vibrations