Geometry & MOs

Info

ID:	76593
PubChem CID:	48425126
Reduced:	O2F3N4C16H25 (1)
Stoich.:	A2B3C4D16E25 (1)
Weight, g/mol:	406.187955
ΔH_f, kcal/mol:	-222.56
Dipole, Da:	2.5
IP(EA), eV:	-8.63(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=CC(=NN1)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations