Geometry & MOs

Info

ID:	430389
PubChem CID:	135170453
Reduced:	F3N3H8C10 (1)
Stoich.:	A3B3C8D10 (1)
Weight, g/mol:	295.054416
ΔH_f, kcal/mol:	-82.71
Dipole, Da:	3.59
IP(EA), eV:	-9.97(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C(F)(F)F)C2=CC=CC=C2

DOS

IR

Vibrations