Geometry & MOs

Info

ID:	76641
PubChem CID:	48425183
Reduced:	SN2O2F3C12H21 (1)
Stoich.:	AB2C2D3E12F21 (1)
Weight, g/mol:	378.158884
ΔH_f, kcal/mol:	-250.44
Dipole, Da:	1.35
IP(EA), eV:	-8.91(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSCC(=O)N1CCN(CC1)CCCOCC(F)(F)F

DOS

IR

Vibrations