Geometry & MOs

Info

ID:	187032
PubChem CID:	77522182
Reduced:	N2O4C31H42 (1)
Stoich.:	A2B4C31D42 (1)
Weight, g/mol:	227.014934
ΔH_f, kcal/mol:	-171.23
Dipole, Da:	5.7
IP(EA), eV:	-8.04(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-4-fluoro-3-hydroxy-5-methyl-4aH-quinolin-2-one

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C=CC(=O)OCC(C)(C)C3=C(C=C(C=C3)N)N

DOS

IR

Vibrations