Geometry & MOs

Info

ID:	381407
PubChem CID:	134972127
Reduced:	ClIO3C5H6 (1)
Stoich.:	ABC3D5E6 (1)
Weight, g/mol:	487.96704
ΔH_f, kcal/mol:	-106.0
Dipole, Da:	6.01
IP(EA), eV:	-10.26(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-3,6-bis(6-bromo-1H-indol-3-yl)piperazin-2-one

Drug info:

PubChemData

Smile

COC/C(=C(/C(=O)O)\I)/Cl

DOS

IR

Vibrations