Geometry & MOs

Info

ID:	233376
PubChem CID:	89854491
Reduced:	NO13C23H39 (1)
Stoich.:	AB13C23D39 (1)
Weight, g/mol:	202.084124
ΔH_f, kcal/mol:	-637.68
Dipole, Da:	7.05
IP(EA), eV:	-9.85(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methylbutanoyloxy)-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCCCC(=O)OC(C)C(C(=O)O)(O)O.CC(C)CC(=O)OC(=O)CCC(=O)O.C1C[C@H](NC1)C(=O)O

DOS

IR

Vibrations