Geometry & MOs

Info

ID:	324967
PubChem CID:	126678975
Reduced:	OCl2N5H9C12 (1)
Stoich.:	AB2C5D9E12 (1)
Weight, g/mol:	486.173956
ΔH_f, kcal/mol:	63.03
Dipole, Da:	4.73
IP(EA), eV:	-8.94(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[4-(6-piperazin-1-ylpyridin-3-yl)-2-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations