Geometry & MOs

Info

ID:	253458
PubChem CID:	103118596
Reduced:	ON4H12C16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	262.085461
ΔH_f, kcal/mol:	93.85
Dipole, Da:	8.64
IP(EA), eV:	-9.38(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxo-3-pyrazolo[1,5-a]pyridin-3-yl-2-pyridin-4-ylpropanenitrile

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)C(C#N)C3=CC=NC=C3

DOS

IR

Vibrations