Geometry & MOs

Info

ID:	254431
PubChem CID:	103125240
Reduced:	O2N3C6H9 (1)
Stoich.:	A2B3C6D9 (1)
Weight, g/mol:	289.041818
ΔH_f, kcal/mol:	-73.53
Dipole, Da:	3.16
IP(EA), eV:	-9.02(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N)N1C=CNC1=O

DOS

IR

Vibrations