Geometry & MOs

Info

ID:	76466
PubChem CID:	48424959
Reduced:	SO2F3N3C18H26 (1)
Stoich.:	AB2C3D3E18F26 (1)
Weight, g/mol:	388.160992
ΔH_f, kcal/mol:	-223.07
Dipole, Da:	4.95
IP(EA), eV:	-8.93(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CCSCC2=CC=CC=N2

DOS

IR

Vibrations