Geometry & MOs

Info

ID:	318077
PubChem CID:	126648896
Reduced:	N2O3H8C9 (1)
Stoich.:	A2B3C8D9 (1)
Weight, g/mol:	353.108816
ΔH_f, kcal/mol:	-76.58
Dipole, Da:	1.83
IP(EA), eV:	-9.69(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[2-fluoro-5-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)N(C=N2)C(=O)O)CO

DOS

IR

Vibrations