Geometry & MOs

Info

ID:	324521
PubChem CID:	126677811
Reduced:	ClN6H9C11 (1)
Stoich.:	AB6C9D11 (1)
Weight, g/mol:	318.122909
ΔH_f, kcal/mol:	115.1
Dipole, Da:	4.35
IP(EA), eV:	-9.21(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(6-phenoxypyridin-3-yl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C1=C(C=NC=C1Cl)CC2=CC(=NC3=NNN=C23)N

DOS

IR

Vibrations