Geometry & MOs

Info

ID:	50254
PubChem CID:	12012770
Reduced:	F3H3N4C6 (1)
Stoich.:	A3B3C4D6 (1)
Weight, g/mol:	188.030981
ΔH_f, kcal/mol:	-59.33
Dipole, Da:	4.52
IP(EA), eV:	-10.77(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CN2C(=NC=N2)N=C1C(F)(F)F

DOS

IR

Vibrations