Geometry & MOs

Info

ID:	76681
PubChem CID:	48425236
Reduced:	N2F3O3C20H29 (1)
Stoich.:	A2B3C3D20E29 (1)
Weight, g/mol:	418.207942
ΔH_f, kcal/mol:	-290.3
Dipole, Da:	3.83
IP(EA), eV:	-8.65(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethoxyphenoxy)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OCCC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations