Geometry & MOs

Info

ID:	76696
PubChem CID:	48425257
Reduced:	ClN2F3O3C18H24 (1)
Stoich.:	AB2C3D3E18F24 (1)
Weight, g/mol:	324.202463
ΔH_f, kcal/mol:	-277.72
Dipole, Da:	5.6
IP(EA), eV:	-8.86(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]pentan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CCCOCC(F)(F)F)OC2=CC=C(C=C2)Cl

DOS

IR

Vibrations