Geometry & MOs

Info

ID:	308863
PubChem CID:	126531664
Reduced:	FON8H21C27 (1)
Stoich.:	ABC8D21E27 (1)
Weight, g/mol:	288.93053
ΔH_f, kcal/mol:	126.93
Dipole, Da:	4.7
IP(EA), eV:	-8.72(-2.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-chloro-7-fluoro-2-methyl-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C=CN=C(C5=N4)C6=CC=C(C=C6)F

DOS

IR

Vibrations