Geometry & MOs

Info

ID:	3306
PubChem CID:	9473
Reduced:	O2C5H5 (2)
Stoich.:	A2B5C5 (2)
Weight, g/mol:	194.057909
ΔH_f, kcal/mol:	-136.17
Dipole, Da:	1.76
IP(EA), eV:	-8.84(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzodioxol-5-ylmethyl acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations