Geometry & MOs

Info

ID:	76513
PubChem CID:	48425025
Reduced:	O2F3N6C16H21 (1)
Stoich.:	A2B3C6D16E21 (1)
Weight, g/mol:	416.228677
ΔH_f, kcal/mol:	-159.2
Dipole, Da:	4.0
IP(EA), eV:	-8.97(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CC2=NN3C=CC=NC3=N2

DOS

IR

Vibrations