Geometry & MOs

Info

ID:	275844
PubChem CID:	103818354
Reduced:	ClFNO2H13C14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	270.093519
ΔH_f, kcal/mol:	-93.45
Dipole, Da:	1.74
IP(EA), eV:	-8.79(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-chloro-5-fluoroanilino)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1O)CNC2=CC(=CC(=C2)Cl)F

DOS

IR

Vibrations