Geometry & MOs

Info

ID:	21253
PubChem CID:	587783
Reduced:	N3F6H7C14 (1)
Stoich.:	A3B6C7D14 (1)
Weight, g/mol:	331.054416
ΔH_f, kcal/mol:	-219.5
Dipole, Da:	3.04
IP(EA), eV:	-9.82(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NN=C3N2C=C(C=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations