Geometry & MOs

Info

ID:	137694
PubChem CID:	52245909
Reduced:	ClFON2C15H21 (1)
Stoich.:	ABCD2E15F21 (1)
Weight, g/mol:	298.124819
ΔH_f, kcal/mol:	-84.2
Dipole, Da:	8.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.098599
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-fluoro-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[NH+](C1)CCNC(=O)C2=C(C=C(C=C2)Cl)F

DOS

IR

Vibrations