Geometry & MOs

Info

ID:	54588
PubChem CID:	17388946
Reduced:	ClFN3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	409.274757
ΔH_f, kcal/mol:	-23.41
Dipole, Da:	1.93
IP(EA), eV:	-8.85(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 11-(1-benzylpiperidin-1-ium-1-yl)undecanoate;chloride

Drug info:

PubChemData

Smile

C1CCC(=NCC1)N/N=C/C2=CC=C(C=C2)F.Cl

DOS

IR

Vibrations