Geometry & MOs

Info

ID:	17585
PubChem CID:	506398
Reduced:	BrO3N4H19C21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	454.06405
ΔH_f, kcal/mol:	-29.0
Dipole, Da:	5.83
IP(EA), eV:	-9.1(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-1H-indol-3-yl)-2-[(2R)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1C(=O)C(=O)C2=CNC3=C2C(=CC=C3)Br)C(=O)C4=CC=CC=N4

DOS

IR

Vibrations