Geometry & MOs

Info

ID:	177358
PubChem CID:	76172559
Reduced:	NO7C28H31 (1)
Stoich.:	AB7C28D31 (1)
Weight, g/mol:	291.94539
ΔH_f, kcal/mol:	-180.02
Dipole, Da:	3.83
IP(EA), eV:	-8.26(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dichloro-6-fluoro-4-hydroxy-3-nitro-4aH-quinolin-2-one

Drug info:

PubChemData

Smile

CCNC(=O)C=CC(=C(C=CC1=CC(=C(C=C1)OC)OC)O)C(=O)C=CC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations