Geometry & MOs

Info

ID:	17580
PubChem CID:	506252
Reduced:	BrF3N3O4H17C22 (1)
Stoich.:	AB3C3D4E17F22 (1)
Weight, g/mol:	523.03545
ΔH_f, kcal/mol:	-240.59
Dipole, Da:	6.13
IP(EA), eV:	-9.36(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-benzoylpiperazin-1-yl)-2-[7-bromo-4-(trifluoromethoxy)-1H-indol-3-yl]ethane-1,2-dione

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)OC(F)(F)F)Br

DOS

IR

Vibrations