Geometry & MOs

Info

ID:	264550
PubChem CID:	103469400
Reduced:	ON6H8C10 (1)
Stoich.:	AB6C8D10 (1)
Weight, g/mol:	242.127994
ΔH_f, kcal/mol:	75.06
Dipole, Da:	7.02
IP(EA), eV:	-9.22(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-6-(3,5-diethyl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1N)C#N)N2C=C(C=N2)C(=O)N

DOS

IR

Vibrations