Geometry & MOs

Info

ID:	340553
PubChem CID:	127262564
Reduced:	F3O3N4H7C9 (1)
Stoich.:	A3B3C4D7E9 (1)
Weight, g/mol:	288.047025
ΔH_f, kcal/mol:	-210.04
Dipole, Da:	6.58
IP(EA), eV:	-10.62(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C(=O)N2C1=NC(=N2)C(F)(F)F)C(=O)O

DOS

IR

Vibrations