Geometry & MOs

Info

ID:	254480
PubChem CID:	103125556
Reduced:	N3O3H9C10 (1)
Stoich.:	A3B3C9D10 (1)
Weight, g/mol:	289.041818
ΔH_f, kcal/mol:	-3.76
Dipole, Da:	2.94
IP(EA), eV:	-9.09(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=CNC2=O

DOS

IR

Vibrations