Geometry & MOs

Info

ID:	404013
PubChem CID:	135064375
Reduced:	O5C13H16 (1)
Stoich.:	A5B13C16 (1)
Weight, g/mol:	266.115424
ΔH_f, kcal/mol:	-208.34
Dipole, Da:	1.96
IP(EA), eV:	-9.99(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R)-1-acetyloxy-3-methoxy-1-phenylpropan-2-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)O[C@H](CO)[C@@H](C1=CC=CC=C1)OC(=O)C

DOS

IR

Vibrations