Geometry & MOs

Info

ID:	76557
PubChem CID:	48425078
Reduced:	F3N3O3C19H30 (1)
Stoich.:	A3B3C3D19E30 (1)
Weight, g/mol:	397.197712
ΔH_f, kcal/mol:	-290.63
Dipole, Da:	5.57
IP(EA), eV:	-8.8(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-indol-1-yl-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2CC2)C(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations