Geometry & MOs

Info

ID:	412619
PubChem CID:	135085516
Reduced:	PK3O9H10 (1)
Stoich.:	AB3C9D10 (1)
Weight, g/mol:	224.068473
ΔH_f, kcal/mol:	-647.81
Dipole, Da:	17.58
IP(EA), eV:	-8.27(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydroxybutanoyl benzoate

Drug info:

PubChemData

Smile

O.O.O.O.O.[O-]P(=O)([O-])[O-].[K+].[K+].[K+]

DOS

IR

Vibrations