Geometry & MOs

Info

ID:	318085
PubChem CID:	126648906
Reduced:	ClSO3N5H12C13 (1)
Stoich.:	ABC3D5E12F13 (1)
Weight, g/mol:	325.078659
ΔH_f, kcal/mol:	-11.06
Dipole, Da:	6.22
IP(EA), eV:	-9.13(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(C(=CC=C1)Cl)COC2=CC(=NC3=NNN=C23)N

DOS

IR

Vibrations