Geometry & MOs

Info

ID:	76439
PubChem CID:	48424928
Reduced:	SN2F3O4C15H27 (1)
Stoich.:	AB2C3D4E15F27 (1)
Weight, g/mol:	399.176976
ΔH_f, kcal/mol:	-348.61
Dipole, Da:	7.03
IP(EA), eV:	-9.24(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-oxo-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propan-2-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

CCCS(=O)(=O)C(C)C(=O)N1CCN(CC1)CCCOCC(F)(F)F

DOS

IR

Vibrations