Geometry & MOs

Info

ID:	76625
PubChem CID:	48425164
Reduced:	N2F3O3C19H27 (1)
Stoich.:	A2B3C3D19E27 (1)
Weight, g/mol:	390.158884
ΔH_f, kcal/mol:	-282.21
Dipole, Da:	6.23
IP(EA), eV:	-8.8(-0.08)
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]ethanone

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations