Geometry & MOs

Info

ID:	174995
PubChem CID:	75842991
Reduced:	FOSN4H17C20 (1)
Stoich.:	ABCD4E17F20 (1)
Weight, g/mol:	397.212732
ΔH_f, kcal/mol:	49.35
Dipole, Da:	3.18
IP(EA), eV:	-9.08(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(phenylmethoxymethyl)piperidin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)F)SC2=NN=C(N2CC3=CC=CO3)C4=CN=CC=C4

DOS

IR

Vibrations