Geometry & MOs

Info

ID:	294692
PubChem CID:	117482171
Reduced:	FSN3O3C12H14 (1)
Stoich.:	ABC3D3E12F14 (1)
Weight, g/mol:	299.01571
ΔH_f, kcal/mol:	-102.54
Dipole, Da:	7.71
IP(EA), eV:	-8.94(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)morpholine

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C2=C(C(=CC(=C2)F)S(=O)(=O)C)OC)N

DOS

IR

Vibrations