Geometry & MOs

Info

ID:	292663
PubChem CID:	117356623
Reduced:	ClFNC13H17 (1)
Stoich.:	ABCD13E17 (1)
Weight, g/mol:	241.103355
ΔH_f, kcal/mol:	-51.92
Dipole, Da:	3.16
IP(EA), eV:	-8.78(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-chloro-4-(fluoromethyl)phenyl]methyl]piperidine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)C2CCNCC2)F)Cl

DOS

IR

Vibrations