Geometry & MOs

Info

ID:	8767
PubChem CID:	81317
Reduced:	O2C6H7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	222.089209
ΔH_f, kcal/mol:	-145.35
Dipole, Da:	1.78
IP(EA), eV:	-8.84(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzodioxol-5-ylmethyl butanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations