Geometry & MOs

Info

ID:	150124
PubChem CID:	53789810
Reduced:	O7C21H30 (1)
Stoich.:	A7B21C30 (1)
Weight, g/mol:	204.099774
ΔH_f, kcal/mol:	-269.86
Dipole, Da:	4.87
IP(EA), eV:	-8.74(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-4-oxo-4-pentoxybutanoic acid

Drug info:

PubChemData

Smile

CCCOC1=C(C(=C2C(=C1)OC(=O)C(=C2OCCC)O)OCCC)OCCC

DOS

IR

Vibrations