Geometry & MOs

Info

ID:	285161
PubChem CID:	104098423
Reduced:	SN3O3C11H17 (1)
Stoich.:	AB3C3D11E17 (1)
Weight, g/mol:	214.096694
ΔH_f, kcal/mol:	-36.57
Dipole, Da:	7.06
IP(EA), eV:	-9.59(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(triazol-1-yl)ethylamino]pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(CNCC1=CC=C(S1)[N+](=O)[O-])C(=O)NC

DOS

IR

Vibrations