Geometry & MOs

Info

ID:	1559
PubChem CID:	4691
Reduced:	FNO3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	329.142722
ΔH_f, kcal/mol:	-113.08
Dipole, Da:	2.06
IP(EA), eV:	-8.44(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine

Drug info:

PubChemData

Smile

C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations