Geometry & MOs

Info

ID:	254288
PubChem CID:	103123997
Reduced:	O2N3H9C11 (1)
Stoich.:	A2B3C9D11 (1)
Weight, g/mol:	224.069811
ΔH_f, kcal/mol:	1.37
Dipole, Da:	1.27
IP(EA), eV:	-8.9(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyrazolo[1,5-a]pyrazin-3-yl(pyridin-3-yl)methanone

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCC#N)N2C=CNC2=O

DOS

IR

Vibrations