Geometry & MOs

Info

ID:	76691
PubChem CID:	48425251
Reduced:	SN2O2F3C18H25 (1)
Stoich.:	AB2C2D3E18F25 (1)
Weight, g/mol:	404.192292
ΔH_f, kcal/mol:	-235.79
Dipole, Da:	4.46
IP(EA), eV:	-8.88(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=CS2)C(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations