Geometry & MOs

Info

ID:	324966
PubChem CID:	126678973
Reduced:	F2O2N5H13C14 (1)
Stoich.:	A2B2C5D13E14 (1)
Weight, g/mol:	309.018415
ΔH_f, kcal/mol:	-100.98
Dipole, Da:	3.42
IP(EA), eV:	-8.47(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1OC(F)F)COC2=CC(=NC(=C2N)N)N)C#N

DOS

IR

Vibrations