Geometry & MOs

Info

ID:	76708
PubChem CID:	48425271
Reduced:	N2F3O3C19H27 (1)
Stoich.:	A2B3C3D19E27 (1)
Weight, g/mol:	404.174534
ΔH_f, kcal/mol:	-276.26
Dipole, Da:	2.89
IP(EA), eV:	-8.79(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCCC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations