Geometry & MOs

Info

ID:	55122
PubChem CID:	17389789
Reduced:	ClN2C13H21 (1)
Stoich.:	AB2C13D21 (1)
Weight, g/mol:	326.164185
ΔH_f, kcal/mol:	-34.72
Dipole, Da:	1.98
IP(EA), eV:	-8.31(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanamine;oxalic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NCC2CCCN2)C.Cl

DOS

IR

Vibrations