Geometry & MOs

Info

ID:	292730
PubChem CID:	117357500
Reduced:	FN2O3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	242.024895
ΔH_f, kcal/mol:	-86.38
Dipole, Da:	7.8
IP(EA), eV:	-9.5(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methylsulfonyl-1,3-benzodioxol-5-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)(CC1=C(C(=CC(=C1)[N+](=O)[O-])F)OC)N

DOS

IR

Vibrations