Geometry & MOs

Info

ID:	184127
PubChem CID:	77113927
Reduced:	NCl2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	246.121572
ΔH_f, kcal/mol:	-126.89
Dipole, Da:	3.54
IP(EA), eV:	-9.72(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydroxy-2-methylpropyl)-2-hydroxy-6-oxopiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C=CC1=CC(=C(C=C1)Cl)Cl)(CO)O

DOS

IR

Vibrations