Geometry & MOs

Info

ID:	76531
PubChem CID:	48425048
Reduced:	N2F3O3C19H25 (1)
Stoich.:	A2B3C3D19E25 (1)
Weight, g/mol:	340.197377
ΔH_f, kcal/mol:	-243.59
Dipole, Da:	4.47
IP(EA), eV:	-8.75(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CCOC1=CC=CC=C1C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations