Geometry & MOs

Info

ID:	76591
PubChem CID:	48425124
Reduced:	O2F3N4C16H25 (1)
Stoich.:	A2B3C4D16E25 (1)
Weight, g/mol:	404.174534
ΔH_f, kcal/mol:	-220.44
Dipole, Da:	6.21
IP(EA), eV:	-8.89(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-phenylethylsulfanyl)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC(=O)N2CCN(CC2)CCCOCC(F)(F)F)C

DOS

IR

Vibrations