Geometry & MOs

Info

ID:	23942
PubChem CID:	607178
Reduced:	O5H8C9 (1)
Stoich.:	A5B8C9 (1)
Weight, g/mol:	196.037173
ΔH_f, kcal/mol:	-162.54
Dipole, Da:	7.44
IP(EA), eV:	-9.42(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-1,3-benzodioxole-5-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC2=C1OCO2)C(=O)O

DOS

IR

Vibrations