Geometry & MOs

Info

ID:	318070
PubChem CID:	126648879
Reduced:	ClO2F3N5H9C13 (1)
Stoich.:	AB2C3D5E9F13 (1)
Weight, g/mol:	284.102174
ΔH_f, kcal/mol:	-130.61
Dipole, Da:	5.14
IP(EA), eV:	-8.95(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations