Geometry & MOs

Info

ID:	76616
PubChem CID:	48425152
Reduced:	N2F3O3C20H25 (1)
Stoich.:	A2B3C3D20E25 (1)
Weight, g/mol:	414.176642
ΔH_f, kcal/mol:	-257.72
Dipole, Da:	2.62
IP(EA), eV:	-8.82(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations