Geometry & MOs

Info

ID:	22307
PubChem CID:	596571
Reduced:	O4C11H12 (1)
Stoich.:	A4B11C12 (1)
Weight, g/mol:	208.073559
ΔH_f, kcal/mol:	-126.42
Dipole, Da:	1.62
IP(EA), eV:	-8.94(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxy-2-methyl-1,3-benzodioxol-2-yl)ethanone

Drug info:

PubChemData

Smile

CC(=O)C1(OC2=C(O1)C(=CC=C2)OC)C

DOS

IR

Vibrations