Geometry & MOs

Info

ID:	76503
PubChem CID:	48425009
Reduced:	F3O3N4C18H29 (1)
Stoich.:	A3B3C4D18E29 (1)
Weight, g/mol:	406.16349
ΔH_f, kcal/mol:	-253.52
Dipole, Da:	5.79
IP(EA), eV:	-9.03(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NOC(=N1)CCCC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations