Geometry & MOs

Info

ID:	279116
PubChem CID:	103841312
Reduced:	NCl2O3H11C14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	226.131742
ΔH_f, kcal/mol:	-112.82
Dipole, Da:	6.0
IP(EA), eV:	-8.74(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[2-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)NC(=O)C2=C(C=C(C=C2)O)O)Cl

DOS

IR

Vibrations