Geometry & MOs

Info

ID:	253444
PubChem CID:	103118497
Reduced:	ClFO2N4C13H14 (1)
Stoich.:	ABC2D4E13F14 (1)
Weight, g/mol:	280.076039
ΔH_f, kcal/mol:	-61.92
Dipole, Da:	2.53
IP(EA), eV:	-9.92(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)-3-oxo-3-pyrazolo[1,5-a]pyrazin-3-ylpropanenitrile

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=N1)CC2=C(C(=CC=C2)F)Cl)CCN

DOS

IR

Vibrations