Geometry & MOs

Info

ID:	76544
PubChem CID:	48425063
Reduced:	F3N4O4C17H27 (1)
Stoich.:	A3B4C4D17E27 (1)
Weight, g/mol:	408.142755
ΔH_f, kcal/mol:	-328.76
Dipole, Da:	5.47
IP(EA), eV:	-8.99(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenoxy)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCN1CCN(C(=O)C1=O)CC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations