Geometry & MOs

Info

ID:	20937
PubChem CID:	586326
Reduced:	NO5C11H11 (1)
Stoich.:	AB5C11D11 (1)
Weight, g/mol:	237.063722
ΔH_f, kcal/mol:	-205.29
Dipole, Da:	9.77
IP(EA), eV:	-9.65(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-4-(2-hydroxy-5-oxopyrrolidin-1-yl)benzoic acid

Drug info:

PubChemData

Smile

C1CC(=O)N(C1O)C2=CC(=C(C=C2)C(=O)O)O

DOS

IR

Vibrations