Geometry & MOs

Info

ID:	185616
PubChem CID:	77321030
Reduced:	SN3O5C29H31 (1)
Stoich.:	AB3C5D29E31 (1)
Weight, g/mol:	455.07575
ΔH_f, kcal/mol:	-131.78
Dipole, Da:	5.79
IP(EA), eV:	-8.68(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[3-(2-fluorophenoxy)propoxy]phenyl]-3-iodopiperidine

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCC1N(C)C(=O)C(CC2=CC=C(C=C2)C#N)N(C3=CC4=CC=CC=C4C=C3)S(=O)O

DOS

IR

Vibrations