Geometry & MOs

Info

ID:	85491
PubChem CID:	49876018
Reduced:	FNOCl2C8H9 (1)
Stoich.:	ABCD2E8F9 (1)
Weight, g/mol:	280.146817
ΔH_f, kcal/mol:	-44.93
Dipole, Da:	3.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750028
Charge, e:	-1

Chem-info

IUPAC name:

4-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)piperidine;chloride

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1OCCN)Cl)F.[Cl-]

DOS

IR

Vibrations