Geometry & MOs

Info

ID:	391369
PubChem CID:	135004529
Reduced:	N3O5C15H15 (1)
Stoich.:	A3B5C15D15 (1)
Weight, g/mol:	287.046154
ΔH_f, kcal/mol:	-80.17
Dipole, Da:	2.31
IP(EA), eV:	-9.24(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](C#N)[C@]1(C2=CC=CC=C2N(C1=O)C)C[N+](=O)[O-]

DOS

IR

Vibrations