Geometry & MOs

Info

ID:	325006
PubChem CID:	126679185
Reduced:	ON5H37C51 (1)
Stoich.:	AB5C37D51 (1)
Weight, g/mol:	295.043629
ΔH_f, kcal/mol:	209.64
Dipole, Da:	5.06
IP(EA), eV:	-7.93(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC(NC(N2)C3=CC(=CC=C3)N4C5=C(C6=C4C=C7C(=C6)C8=CC=CC=C8N7C9=CC=CC=C9)C1=C(C=C5)C2=CC=CC=C2O1)C1=CC=CC=C1

DOS

IR

Vibrations