Geometry & MOs

Info

ID:	164547
PubChem CID:	74414801
Reduced:	FO3N4C21H31 (1)
Stoich.:	AB3C4D21E31 (1)
Weight, g/mol:	407.210146
ΔH_f, kcal/mol:	-155.84
Dipole, Da:	9.28
IP(EA), eV:	-8.79(0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[5-chloro-2-(1-cyclopentylpiperidin-1-ium-4-yl)oxyphenyl]-(3-hydroxypiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1CCCN(C1)C(=O)C2CC(NN2)COC3=CC(=CC=C3)F

DOS

IR

Vibrations