Geometry & MOs

Info

ID:	52115
PubChem CID:	12014900
Reduced:	O5C12H20 (1)
Stoich.:	A5B12C20 (1)
Weight, g/mol:	246.146724
ΔH_f, kcal/mol:	-247.62
Dipole, Da:	1.59
IP(EA), eV:	-9.77(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-hydroxy-2-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]ethyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCC(=O)[C@@]1(CC[C@@H](O1)C(C)(C)O)C

DOS

IR

Vibrations