Geometry & MOs

Info

ID:	292662
PubChem CID:	117356594
Reduced:	ClFNC13H17 (1)
Stoich.:	ABCD13E17 (1)
Weight, g/mol:	241.103355
ΔH_f, kcal/mol:	-58.22
Dipole, Da:	1.14
IP(EA), eV:	-9.28(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-2-fluoro-5,6-dimethylphenyl)piperidine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1F)C2(CCCC2)N)C)Cl

DOS

IR

Vibrations