Geometry & MOs

Info

ID:	76703
PubChem CID:	48425266
Reduced:	F3N3O4C17H30 (1)
Stoich.:	A3B3C4D17E30 (1)
Weight, g/mol:	388.197377
ΔH_f, kcal/mol:	-375.92
Dipole, Da:	5.64
IP(EA), eV:	-8.61(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylphenoxy)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCC(=O)N1CCN(CC1)CCCOCC(F)(F)F

DOS

IR

Vibrations