Geometry & MOs

Info

ID:	52114
PubChem CID:	12014899
Reduced:	O5C12H22 (1)
Stoich.:	A5B12C22 (1)
Weight, g/mol:	244.131074
ΔH_f, kcal/mol:	-266.61
Dipole, Da:	1.54
IP(EA), eV:	-10.02(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations