Geometry & MOs

Info

ID:	64713
PubChem CID:	29203894
Reduced:	FSN3O5C24H30 (1)
Stoich.:	ABC3D5E24F30 (1)
Weight, g/mol:	351.174691
ΔH_f, kcal/mol:	-197.8
Dipole, Da:	7.46
IP(EA), eV:	-9.09(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-fluorophenyl)piperazin-1-yl]-3-indol-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)N1CCN(CC1)C2=CC=CC=C2F)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations