Geometry & MOs

Info

ID:	393582
PubChem CID:	135021141
Reduced:	NRh2O4C22H41 (1)
Stoich.:	AB2C4D22E41 (1)
Weight, g/mol:	469.142641
ΔH_f, kcal/mol:	-187.7
Dipole, Da:	17.7
IP(EA), eV:	-9.22(-4.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-nitro-4-phenyl-3-(4-phenylquinolin-2-yl)-1H-quinolin-2-one

Drug info:

PubChemData

Smile

[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].CC(C)(C)[C@@H](C(O)O)N1C(=O)C2=CC=CC=C2C1=O.[Rh].[Rh]

DOS

IR

Vibrations