Geometry & MOs

Info

ID:	76485
PubChem CID:	48424987
Reduced:	F3N3O3C19H32 (1)
Stoich.:	A3B3C3D19E32 (1)
Weight, g/mol:	390.193041
ΔH_f, kcal/mol:	-319.51
Dipole, Da:	2.42
IP(EA), eV:	-8.63(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CCCC(=O)N1CCCCC1C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations