Geometry & MOs

Info

ID:	253452
PubChem CID:	103118561
Reduced:	OSN3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	268.041882
ΔH_f, kcal/mol:	72.19
Dipole, Da:	7.47
IP(EA), eV:	-9.2(-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-thiophen-2-ylpropanenitrile

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C(C#N)C2=CC=CS2

DOS

IR

Vibrations