Geometry & MOs

Info

ID:	325082
PubChem CID:	126680398
Reduced:	FON5C18H18 (1)
Stoich.:	ABC5D18E18 (1)
Weight, g/mol:	341.103651
ΔH_f, kcal/mol:	8.7
Dipole, Da:	4.96
IP(EA), eV:	-8.51(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=C(C=C2)COC3=CC(=NC(=C3N)NN)N)F

DOS

IR

Vibrations