Geometry & MOs

Info

ID:	48945
PubChem CID:	11528507
Reduced:	O3C11H14 (1)
Stoich.:	A3B11C14 (1)
Weight, g/mol:	194.094294
ΔH_f, kcal/mol:	-97.95
Dipole, Da:	2.18
IP(EA), eV:	-10.18(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,5S)-5-(hydroxymethyl)-2-phenyloxolan-3-ol

Drug info:

PubChemData

Smile

CCCOC(=O)[C@H]1[C@H]2CC3[C@@H]1C3C2=O

DOS

IR

Vibrations