Geometry & MOs

Info

ID:	83523
PubChem CID:	49857697
Reduced:	FN2O3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	288.09102
ΔH_f, kcal/mol:	-122.3
Dipole, Da:	6.69
IP(EA), eV:	-10.21(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-3-(pyridine-3-carbonylamino)propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C(CC(=O)O)NC(=O)C2=CN=CC=C2

DOS

IR

Vibrations