Geometry & MOs

Info

ID:	406407
PubChem CID:	135077517
Reduced:	IO5C11H17 (1)
Stoich.:	AB5C11D17 (1)
Weight, g/mol:	174.089209
ΔH_f, kcal/mol:	-218.31
Dipole, Da:	6.83
IP(EA), eV:	-10.35(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,3R)-2-(hydroxymethyl)oxolane-3-carboxylate

Drug info:

PubChemData

Smile

CCCCOC[C@H]1[C@@H]([C@H]([C@H]2[C@@H]1OC(=O)O2)I)O

DOS

IR

Vibrations