Geometry & MOs

Info

ID:	232585
PubChem CID:	87576465
Reduced:	ClN2O2H3C6 (1)
Stoich.:	AB2C2D3E6 (1)
Weight, g/mol:	292.084792
ΔH_f, kcal/mol:	28.27
Dipole, Da:	4.65
IP(EA), eV:	-9.35(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-5-nitro-3-[(E)-3-phenylprop-2-enylidene]-1H-indol-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)C(=O)N=O)Cl

DOS

IR

Vibrations