Geometry & MOs

Info

ID:	55825
PubChem CID:	17396619
Reduced:	NSO5C18H19 (1)
Stoich.:	ABC5D18E19 (1)
Weight, g/mol:	287.095771
ΔH_f, kcal/mol:	-157.0
Dipole, Da:	5.86
IP(EA), eV:	-8.83(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-fluorophenyl)ethyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NCCC2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations