Geometry & MOs

Info

ID:	11551
PubChem CID:	117435
Reduced:	ClN4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	260.082874
ΔH_f, kcal/mol:	72.73
Dipole, Da:	5.83
IP(EA), eV:	-9.82(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-phenylethyl)triazolo[4,5-c]pyridine;hydrochloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCN2C3=C(C=NC=C3)N=N2.Cl

DOS

IR

Vibrations