Geometry & MOs

Info

ID:	382839
PubChem CID:	134974219
Reduced:	F3N3H4C6 (2)
Stoich.:	A3B3C4D6 (2)
Weight, g/mol:	350.071463
ΔH_f, kcal/mol:	-183.12
Dipole, Da:	3.88
IP(EA), eV:	-10.16(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NN3C(=CC(=NC3=N2)C(F)(F)F)C)C(F)(F)F

DOS

IR

Vibrations