Geometry & MOs

Info

ID:	76510
PubChem CID:	48425019
Reduced:	SF3O3N4C15H23 (1)
Stoich.:	AB3C3D4E15F23 (1)
Weight, g/mol:	414.176642
ΔH_f, kcal/mol:	-235.02
Dipole, Da:	7.74
IP(EA), eV:	-8.87(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methoxy-2-methyl-1-benzofuran-3-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CSCC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations