Geometry & MOs

Info

ID:	324940
PubChem CID:	126678838
Reduced:	F3O3N6H15C19 (1)
Stoich.:	A3B3C6D15E19 (1)
Weight, g/mol:	448.092929
ΔH_f, kcal/mol:	-133.35
Dipole, Da:	4.87
IP(EA), eV:	-8.98(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[4-(6-methylsulfanylpyridin-3-yl)-2-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)C2=CC(=C(C=C2)COC3=CC(=NC4=NNN=C34)N)OC(F)(F)F

DOS

IR

Vibrations