Geometry & MOs

Info

ID:	76735
PubChem CID:	48425304
Reduced:	F3N3O4C17H24 (1)
Stoich.:	A3B3C4D17E24 (1)
Weight, g/mol:	390.176642
ΔH_f, kcal/mol:	-296.5
Dipole, Da:	4.25
IP(EA), eV:	-8.84(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCN(CC1)CCCOCC(F)(F)F)C(=O)C2=CC=CO2

DOS

IR

Vibrations