Geometry & MOs

Info

ID:	371918
PubChem CID:	131279832
Reduced:	O3F4H6C8 (1)
Stoich.:	A3B4C6D8 (1)
Weight, g/mol:	219.039239
ΔH_f, kcal/mol:	-313.17
Dipole, Da:	2.56
IP(EA), eV:	-9.81(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-imidazo[2,1-b][1,3]oxazol-5-yl-2H-triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1O)F)OC(F)(F)F)CO

DOS

IR

Vibrations