Geometry & MOs

Info

ID:	11140
PubChem CID:	111457
Reduced:	O11C12H18 (1)
Stoich.:	A11B12C18 (1)
Weight, g/mol:	338.084911
ΔH_f, kcal/mol:	-500.16
Dipole, Da:	4.52
IP(EA), eV:	-10.46(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]-4-oxobutane-1,1,2-tricarboxylic acid

Drug info:

PubChemData

Smile

C(C(C(C(=O)O)C(=O)O)C(=O)O)C(=O)OCC(CO)(CO)CO

DOS

IR

Vibrations