Geometry & MOs

Info

ID:	76548
PubChem CID:	48425069
Reduced:	SO2F3N3C17H26 (1)
Stoich.:	AB2C3D3E17F26 (1)
Weight, g/mol:	413.192626
ΔH_f, kcal/mol:	-238.22
Dipole, Da:	3.04
IP(EA), eV:	-8.83(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methoxyindol-1-yl)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CS1)CC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations