Geometry & MOs

Info

ID:	76736
PubChem CID:	48425306
Reduced:	N2F3O4C18H25 (1)
Stoich.:	A2B3C4D18E25 (1)
Weight, g/mol:	342.158884
ΔH_f, kcal/mol:	-303.22
Dipole, Da:	5.53
IP(EA), eV:	-8.87(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations