Geometry & MOs

Info

ID:	267954
PubChem CID:	103590704
Reduced:	FON3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	279.174691
ΔH_f, kcal/mol:	-84.89
Dipole, Da:	5.92
IP(EA), eV:	-8.07(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-amino-4-fluoro-5-methylanilino)-1-piperidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)N)NCCC(=O)N2CCCC2

DOS

IR

Vibrations