Geometry & MOs

Info

ID:	292664
PubChem CID:	117356635
Reduced:	ClFNC13H17 (1)
Stoich.:	ABCD13E17 (1)
Weight, g/mol:	241.103355
ΔH_f, kcal/mol:	-55.01
Dipole, Da:	1.13
IP(EA), eV:	-8.87(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-4-fluoro-2-methylphenyl)methyl]piperidine

Drug info:

PubChemData

Smile

C1CCNC(C1)CC2=C(C=C(C=C2)CF)Cl

DOS

IR

Vibrations