Geometry & MOs

Info

ID:	76522
PubChem CID:	48425036
Reduced:	F3N3O3C19H28 (1)
Stoich.:	A3B3C3D19E28 (1)
Weight, g/mol:	404.174534
ΔH_f, kcal/mol:	-276.46
Dipole, Da:	4.48
IP(EA), eV:	-8.92(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylsulfanyl-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)COC1=NC=C(C=C1)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations