Geometry & MOs

Info

ID:	380946
PubChem CID:	134971554
Reduced:	NaO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	190.084124
ΔH_f, kcal/mol:	-166.84
Dipole, Da:	5.42
IP(EA), eV:	-9.32(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,5-dihydroxy-2-methyloxan-3-yl) acetate

Drug info:

PubChemData

Smile

CC(=C)CC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-].[Na+]

DOS

IR

Vibrations