Geometry & MOs

Info

ID:	371737
PubChem CID:	131271429
Reduced:	F2N2C7H10 (1)
Stoich.:	A2B2C7D10 (1)
Weight, g/mol:	160.038511
ΔH_f, kcal/mol:	-91.7
Dipole, Da:	4.7
IP(EA), eV:	-9.97(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-hydroxy-[1,2,4]triazolo[4,3-a]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1C(C(CC1(F)F)C#N)CN

DOS

IR

Vibrations