Geometry & MOs

Info

ID:	22155
PubChem CID:	596107
Reduced:	NO4C9H9 (1)
Stoich.:	AB4C9D9 (1)
Weight, g/mol:	195.053158
ΔH_f, kcal/mol:	-130.14
Dipole, Da:	0.78
IP(EA), eV:	-8.61(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-amino-1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C2=C(C=C1)OCO2)N

DOS

IR

Vibrations