Geometry & MOs

Info

ID:	11965
PubChem CID:	124400
Reduced:	NO4C7H8 (2)
Stoich.:	AB4C7D8 (2)
Weight, g/mol:	340.090665
ΔH_f, kcal/mol:	-301.0
Dipole, Da:	2.91
IP(EA), eV:	-9.78(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]pyrrolidine-2,4,4-tricarboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1O)C2C(CC(N2)C(=O)O)(C(=O)O)C(=O)O)CO

DOS

IR

Vibrations