Geometry & MOs

Info

ID:	318069
PubChem CID:	126648876
Reduced:	BrOF2N5H8C12 (1)
Stoich.:	ABC2D5E8F12 (1)
Weight, g/mol:	359.039687
ΔH_f, kcal/mol:	-6.83
Dipole, Da:	4.07
IP(EA), eV:	-8.99(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1F)COC2=CC(=NC3=NNN=C23)N)F)Br

DOS

IR

Vibrations