Geometry & MOs

Info

ID:	274342
PubChem CID:	103808641
Reduced:	ON2F3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	270.093519
ΔH_f, kcal/mol:	-200.8
Dipole, Da:	4.53
IP(EA), eV:	-9.5(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(3-chloro-4-fluorophenyl)methyl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C(F)(F)F)NC(=O)[C@@H]2CCCCN2

DOS

IR

Vibrations