Geometry & MOs

Info

ID:	337077
PubChem CID:	127256642
Reduced:	O2C4H5 (2)
Stoich.:	A2B4C5 (2)
Weight, g/mol:	158.094294
ΔH_f, kcal/mol:	-151.45
Dipole, Da:	3.32
IP(EA), eV:	-9.08(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,6R)-6-methyloxan-2-yl] acetate

Drug info:

PubChemData

Smile

CCC(=O)OC1=CC=COC1O

DOS

IR

Vibrations