Geometry & MOs

Info

ID:	177359
PubChem CID:	76173287
Reduced:	FCl2N2H3O4C9 (1)
Stoich.:	AB2C2D3E4F9 (1)
Weight, g/mol:	274.020141
ΔH_f, kcal/mol:	-85.67
Dipole, Da:	3.63
IP(EA), eV:	-10.21(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-3-nitro-6-(trifluoromethyl)-4aH-quinolin-2-one

Drug info:

PubChemData

Smile

C1=C(C(=C(C2C1=NC(=O)C(=C2O)[N+](=O)[O-])Cl)F)Cl

DOS

IR

Vibrations