Geometry & MOs

Info

ID:	76655
PubChem CID:	48425198
Reduced:	N2F3O4C19H21 (1)
Stoich.:	A2B3C4D19E21 (1)
Weight, g/mol:	404.174534
ΔH_f, kcal/mol:	-274.86
Dipole, Da:	6.5
IP(EA), eV:	-9.21(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenylsulfanyl-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)C2=CC(=O)C3=CC=CC=C3O2

DOS

IR

Vibrations