Geometry & MOs

Info

ID:	230172
PubChem CID:	87570351
Reduced:	NO4C13H25 (1)
Stoich.:	AB4C13D25 (1)
Weight, g/mol:	290.100168
ΔH_f, kcal/mol:	-210.92
Dipole, Da:	4.16
IP(EA), eV:	-9.63(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,3-dimethylbutanoyloxy)-2-oxoethyl]-2-hydroxybutanedioic acid

Drug info:

PubChemData

Smile

C1CCCCC1.C(CCC(=O)OC(=O)O)CCN

DOS

IR

Vibrations