Geometry & MOs

Info

ID:	76732
PubChem CID:	48425299
Reduced:	F3N3O3C20H24 (1)
Stoich.:	A3B3C3D20E24 (1)
Weight, g/mol:	406.153798
ΔH_f, kcal/mol:	-244.85
Dipole, Da:	4.16
IP(EA), eV:	-8.85(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methylthiophen-2-yl)-4-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]butane-1,4-dione

Drug info:

PubChemData

Smile

C=C1C2=CC=CC=C2C(=O)N1CC(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations