Geometry & MOs

Info

ID:	165077
PubChem CID:	74496356
Reduced:	FN2O4C21H29 (1)
Stoich.:	AB2C4D21E29 (1)
Weight, g/mol:	368.145103
ΔH_f, kcal/mol:	-225.73
Dipole, Da:	2.19
IP(EA), eV:	-9.25(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 4-[(4-chlorophenyl)methyl]-1-(thiolan-3-yl)piperidin-1-ium-4-carboxylate

Drug info:

PubChemData

Smile

CN1C(CC(C1C2=CC=CC=C2F)C(=O)NCC3(CCCCC3)O)C(=O)OC

DOS

IR

Vibrations