Geometry & MOs

Info

ID:	235355
PubChem CID:	92309583
Reduced:	NO4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	235.084458
ΔH_f, kcal/mol:	-149.5
Dipole, Da:	3.91
IP(EA), eV:	-10.09(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(1S)-1-hydroxy-3-oxo-1H-isoindol-2-yl]butanoic acid

Drug info:

PubChemData

Smile

CC[C@H](C(=O)O)N1[C@@H](C2=CC=CC=C2C1=O)O

DOS

IR

Vibrations