Geometry & MOs

Info

ID:	321435
PubChem CID:	126666034
Reduced:	F3O3N6H27C29 (1)
Stoich.:	A3B3C6D27E29 (1)
Weight, g/mol:	249.043736
ΔH_f, kcal/mol:	-138.74
Dipole, Da:	1.91
IP(EA), eV:	-8.6(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorobenzoyl)-3-methyl-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C2=CC(=NN2C3=CC=CC(=C3)C#N)C(F)(F)F)CC4=C(C(=CC=C4)NCCO)NCCO

DOS

IR

Vibrations