Geometry & MOs

Info

ID:	199409
PubChem CID:	79242474
Reduced:	F2N2O3H12C13 (1)
Stoich.:	A2B2C3D12E13 (1)
Weight, g/mol:	280.06147
ΔH_f, kcal/mol:	-143.58
Dipole, Da:	4.87
IP(EA), eV:	-9.15(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CNC2=C(C=C(C=C2F)C(=O)O)F

DOS

IR

Vibrations