Geometry & MOs

Info

ID:	170348
PubChem CID:	75219364
Reduced:	ClO4N5H16C20 (1)
Stoich.:	AB4C5D16E20 (1)
Weight, g/mol:	358.131742
ΔH_f, kcal/mol:	-52.04
Dipole, Da:	9.51
IP(EA), eV:	-9.54(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-nitro-1-phenylethyl)-3-phenyl-1H-indol-2-one

Drug info:

PubChemData

Smile

CC1=NN2C(=C(C(=C(C2=O)C#N)C3=COC4CCC(CC4C3=O)Cl)C#N)N1C(=O)C

DOS

IR

Vibrations