Geometry & MOs

Info

ID:	76615
PubChem CID:	48425151
Reduced:	F3N3O3C16H24 (1)
Stoich.:	A3B3C3D16E24 (1)
Weight, g/mol:	398.181727
ΔH_f, kcal/mol:	-254.64
Dipole, Da:	3.03
IP(EA), eV:	-8.82(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methyl-1-benzofuran-3-yl)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations