Geometry & MOs

Info

ID:	260051
PubChem CID:	103179428
Reduced:	BrFO3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	272.209993
ΔH_f, kcal/mol:	-154.79
Dipole, Da:	2.99
IP(EA), eV:	-9.8(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3-methoxypropoxy)ethylamino]-1-piperidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

COCCCOCCOCC1=CC(=CC(=C1)Br)F

DOS

IR

Vibrations