Geometry & MOs

Info

ID:	253446
PubChem CID:	103118510
Reduced:	ClO2N3H12C14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	200.069811
ΔH_f, kcal/mol:	16.93
Dipole, Da:	2.2
IP(EA), eV:	-9.0(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C(C#N)C2=C(C=CC(=C2)Cl)OC

DOS

IR

Vibrations