Geometry & MOs

Info

ID:	318094
PubChem CID:	126648929
Reduced:	ON7H15C16 (1)
Stoich.:	AB7C15D16 (1)
Weight, g/mol:	333.02252
ΔH_f, kcal/mol:	122.32
Dipole, Da:	5.88
IP(EA), eV:	-8.85(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2=CC=CC(=C2)COC3=CC(=NC4=NNN=C34)N

DOS

IR

Vibrations