Geometry & MOs

Info

ID:	66496
PubChem CID:	46504684
Reduced:	FNO3H14C17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	316.98515
ΔH_f, kcal/mol:	-96.13
Dipole, Da:	1.94
IP(EA), eV:	-8.41(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[(4-bromophenyl)methylidene]-5-fluoro-1H-indol-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)OC

DOS

IR

Vibrations