Geometry & MOs

Info

ID:	37760
PubChem CID:	8024154
Reduced:	ClON5C20H22 (1)
Stoich.:	ABC5D20E22 (1)
Weight, g/mol:	417.127776
ΔH_f, kcal/mol:	37.39
Dipole, Da:	9.29
IP(EA), eV:	-8.92(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(5-chloro-2-piperidin-1-ylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)Cl)N4CCCCC4)N=N1

DOS

IR

Vibrations