Geometry & MOs

Info

ID:	198167
PubChem CID:	79060009
Reduced:	NO3C15H27 (1)
Stoich.:	AB3C15D27 (1)
Weight, g/mol:	355.09471
ΔH_f, kcal/mol:	-153.16
Dipole, Da:	3.49
IP(EA), eV:	-8.66(2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-5-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one

Drug info:

PubChemData

Smile

C1CCC(C1)(C(C2CCOCC2)O)N3CCOCC3

DOS

IR

Vibrations