Geometry & MOs

Info

ID:	374109
PubChem CID:	131323792
Reduced:	INO3H6C7 (1)
Stoich.:	ABC3D6E7 (1)
Weight, g/mol:	173.070145
ΔH_f, kcal/mol:	-89.83
Dipole, Da:	4.4
IP(EA), eV:	-8.83(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)acetonitrile

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1O)I)N)C(=O)O

DOS

IR

Vibrations