Geometry & MOs

Info

ID:	174753
PubChem CID:	75809788
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	312.97498
ΔH_f, kcal/mol:	-72.57
Dipole, Da:	4.38
IP(EA), eV:	-8.73(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-bromo-8-fluoro-4-oxo-3H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)OC)OC)NC(=O)N2CCN(CC2)CC3=CC=NC=C3

DOS

IR

Vibrations