Geometry & MOs

Info

ID:	8766
PubChem CID:	81316
Reduced:	O4C11H12 (1)
Stoich.:	A4B11C12 (1)
Weight, g/mol:	208.073559
ΔH_f, kcal/mol:	-140.43
Dipole, Da:	1.71
IP(EA), eV:	-8.83(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzodioxol-5-ylmethyl propanoate

Drug info:

PubChemData

Smile

CCC(=O)OCC1=CC2=C(C=C1)OCO2

DOS

IR

Vibrations