Geometry & MOs

Info

ID:	253456
PubChem CID:	103118590
Reduced:	ON4H10C12 (1)
Stoich.:	AB4C10D12 (1)
Weight, g/mol:	263.08071
ΔH_f, kcal/mol:	76.03
Dipole, Da:	6.4
IP(EA), eV:	-10.04(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C(C#N)C2=CC=CC=N2

DOS

IR

Vibrations