Geometry & MOs

Info

ID:	76432
PubChem CID:	48424916
Reduced:	N2F3O3C16H27 (1)
Stoich.:	A2B3C3D16E27 (1)
Weight, g/mol:	388.197377
ΔH_f, kcal/mol:	-280.8
Dipole, Da:	6.6
IP(EA), eV:	-8.83(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CCCOCC(F)(F)F)OCC2CC2

DOS

IR

Vibrations