Geometry & MOs

Info

ID:	20062
PubChem CID:	578017
Reduced:	O4H8C9 (1)
Stoich.:	A4B8C9 (1)
Weight, g/mol:	180.042259
ΔH_f, kcal/mol:	-116.31
Dipole, Da:	0.66
IP(EA), eV:	-9.09(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1,3-benzodioxole-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1OC2=CC=CC=C2O1

DOS

IR

Vibrations