Geometry & MOs

Info

ID:	430499
PubChem CID:	135170563
Reduced:	F3N4H7C9 (1)
Stoich.:	A3B4C7D9 (1)
Weight, g/mol:	228.062281
ΔH_f, kcal/mol:	-69.63
Dipole, Da:	5.08
IP(EA), eV:	-10.01(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C(F)(F)F)C2=CC=CC=N2

DOS

IR

Vibrations