Geometry & MOs

Info

ID:	17586
PubChem CID:	506400
Reduced:	ClO3N4H19C21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	410.114568
ΔH_f, kcal/mol:	-41.09
Dipole, Da:	7.13
IP(EA), eV:	-9.18(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chloro-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)Cl)C(=O)C4=CC=CC=N4

DOS

IR

Vibrations