Geometry & MOs

Info

ID:	180996
PubChem CID:	76713808
Reduced:	ClN2O3C28H45 (1)
Stoich.:	AB2C3D28E45 (1)
Weight, g/mol:	413.2133
ΔH_f, kcal/mol:	-168.32
Dipole, Da:	5.22
IP(EA), eV:	-9.17(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[1-(3-chloro-2-fluorophenyl)-1-hydroxyhexyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOCCCOC(C1CCCN(C1)C(=O)CC(CC2CCCCC2)CN)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations