Geometry & MOs

Info

ID:	76692
PubChem CID:	48425253
Reduced:	N2F3O4C19H27 (1)
Stoich.:	A2B3C4D19E27 (1)
Weight, g/mol:	388.197377
ΔH_f, kcal/mol:	-301.75
Dipole, Da:	6.8
IP(EA), eV:	-8.77(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1OCC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations