Geometry & MOs

Info

ID:	173456
PubChem CID:	75640327
Reduced:	N5C19H19 (1)
Stoich.:	A5B19C19 (1)
Weight, g/mol:	179.038257
ΔH_f, kcal/mol:	128.79
Dipole, Da:	9.86
IP(EA), eV:	-9.54(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-1H-quinoline-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2CC(=NC3=NN=NN23)C4=CC(=C(C=C4)C)C

DOS

IR

Vibrations