Geometry & MOs

Info

ID:	324542
PubChem CID:	126677871
Reduced:	ON4H34C56 (1)
Stoich.:	AB4C34D56 (1)
Weight, g/mol:	259.062473
ΔH_f, kcal/mol:	257.82
Dipole, Da:	4.71
IP(EA), eV:	-8.03(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC4=CC=CC=C43)N5C6=C(C7=C5C8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC(=C1)C1=CC=CC=C1)C1=C(C=C6)OC2=CC=CC=C21

DOS

IR

Vibrations