Geometry & MOs

Info

ID:	76459
PubChem CID:	48424952
Reduced:	F3N3O4C18H26 (1)
Stoich.:	A3B3C4D18E26 (1)
Weight, g/mol:	360.133063
ΔH_f, kcal/mol:	-296.51
Dipole, Da:	3.93
IP(EA), eV:	-8.88(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCOC1=C(C=CC=N1)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations