Geometry & MOs

Info

ID:	391370
PubChem CID:	135004530
Reduced:	ClO2N3H10C14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	281.116427
ΔH_f, kcal/mol:	1.37
Dipole, Da:	5.96
IP(EA), eV:	-9.33(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-5,7-dimethyl-2-oxo-3-(2-oxopropyl)-1H-indol-3-yl]propanedinitrile

Drug info:

PubChemData

Smile

CC(=O)C[C@]1(C2=C(C(=CC=C2)Cl)NC1=O)C(C#N)C#N

DOS

IR

Vibrations