Geometry & MOs

Info

ID:	22156
PubChem CID:	596108
Reduced:	NO5H9C10 (1)
Stoich.:	AB5C9D10 (1)
Weight, g/mol:	223.048072
ΔH_f, kcal/mol:	-165.32
Dipole, Da:	2.24
IP(EA), eV:	-8.91(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-formamido-1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1NC=O)OCO2

DOS

IR

Vibrations