Geometry & MOs

Info

ID:	22150
PubChem CID:	596096
Reduced:	NO4H7C8 (1)
Stoich.:	AB4C7D8 (1)
Weight, g/mol:	181.037508
ΔH_f, kcal/mol:	-130.1
Dipole, Da:	3.98
IP(EA), eV:	-8.58(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations