Geometry & MOs

Info

ID:	324450
PubChem CID:	126677695
Reduced:	ClIF3N4H13C17 (1)
Stoich.:	ABC3D4E13F17 (1)
Weight, g/mol:	366.085909
ΔH_f, kcal/mol:	-50.83
Dipole, Da:	1.84
IP(EA), eV:	-9.2(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-[3-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCC2=NN(C=N2)C3=C(C=C(C=N3)C(F)(F)F)Cl)CI

DOS

IR

Vibrations