Geometry & MOs

Info

ID:	254489
PubChem CID:	103125628
Reduced:	ON3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	289.041818
ΔH_f, kcal/mol:	2.61
Dipole, Da:	3.32
IP(EA), eV:	-8.72(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CN2C=CNC2=O

DOS

IR

Vibrations