Geometry & MOs

Info

ID:	50255
PubChem CID:	12012771
Reduced:	F3H3N4C6 (1)
Stoich.:	A3B3C4D6 (1)
Weight, g/mol:	232.02081
ΔH_f, kcal/mol:	-58.17
Dipole, Da:	3.0
IP(EA), eV:	-10.79(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(N2C(=NC=N2)N=C1)C(F)(F)F

DOS

IR

Vibrations