Geometry & MOs

Info

ID:	152270
PubChem CID:	56311166
Reduced:	NSO3C22H29 (1)
Stoich.:	ABC3D22E29 (1)
Weight, g/mol:	400.216221
ΔH_f, kcal/mol:	-93.0
Dipole, Da:	6.94
IP(EA), eV:	-8.66(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-fluorophenoxy)ethyl]-2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCN(CC2)CCCS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations