Geometry & MOs

Info

ID:	2387
PubChem CID:	7196
Reduced:	O2H3C4 (2)
Stoich.:	A2B3C4 (2)
Weight, g/mol:	166.026609
ΔH_f, kcal/mol:	-122.44
Dipole, Da:	5.59
IP(EA), eV:	-9.46(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzodioxole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C(=O)O

DOS

IR

Vibrations