Geometry & MOs

Info

ID:	66491
PubChem CID:	46504676
Reduced:	O2N3C27H31 (1)
Stoich.:	A2B3C27D31 (1)
Weight, g/mol:	253.090292
ΔH_f, kcal/mol:	-26.3
Dipole, Da:	5.16
IP(EA), eV:	-7.82(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1/C=C/C(=O)NC2=CC3=C(C=C2)N=C(C=C3C)N4CCC(CC4)C

DOS

IR

Vibrations