Geometry & MOs

Info

ID:	144641
PubChem CID:	53391623
Reduced:	N3H11C16 (1)
Stoich.:	A3B11C16 (1)
Weight, g/mol:	249.043736
ΔH_f, kcal/mol:	116.85
Dipole, Da:	5.25
IP(EA), eV:	-8.7(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-fluoro-1H-indol-3-yl)methylidene]propanedioic acid

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)/C=C/C2=CNC3=C2C=C(C=C3)C#N

DOS

IR

Vibrations