Geometry & MOs

Info

ID:	318066
PubChem CID:	126648863
Reduced:	FON3H6C7 (1)
Stoich.:	ABC3D6E7 (1)
Weight, g/mol:	343.044772
ΔH_f, kcal/mol:	14.27
Dipole, Da:	2.45
IP(EA), eV:	-9.15(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)F)N=[N+]=[N-]

DOS

IR

Vibrations