Geometry & MOs

Info

ID:	157234
PubChem CID:	56422431
Reduced:	FSN3O5C19H20 (1)
Stoich.:	ABC3D5E19F20 (1)
Weight, g/mol:	342.137971
ΔH_f, kcal/mol:	-132.06
Dipole, Da:	9.8
IP(EA), eV:	-9.29(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-fluoro-2-piperidin-1-ylphenyl)-1,3-benzodioxole-4-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)F)N3CCCCC3

DOS

IR

Vibrations