Geometry & MOs

Info

ID:	187114
PubChem CID:	77530940
Reduced:	ClNO2H13C15 (2)
Stoich.:	ABC2D13E15 (2)
Weight, g/mol:	193.053907
ΔH_f, kcal/mol:	-122.26
Dipole, Da:	2.64
IP(EA), eV:	-8.62(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-3-methoxy-4aH-quinolin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=CC=CC(=C1N)C2=CC3(C(CC2=O)C4=CC(=CC=C4)Cl)C5=C(C=C(C=C5)Cl)NC3=O

DOS

IR

Vibrations