Geometry & MOs

Info

ID:	340552
PubChem CID:	127262563
Reduced:	ClFNaO2H3C7 (1)
Stoich.:	ABCD2E3F7 (1)
Weight, g/mol:	276.047025
ΔH_f, kcal/mol:	-158.4
Dipole, Da:	10.34
IP(EA), eV:	-9.53(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-7-oxo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)Cl)C(=O)[O-].[Na+]

DOS

IR

Vibrations