Geometry & MOs

Info

ID:	254410
PubChem CID:	103125076
Reduced:	ON2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	332.9913
ΔH_f, kcal/mol:	-36.12
Dipole, Da:	3.85
IP(EA), eV:	-8.56(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1CC2CCC1C2)N3C=CNC3=O

DOS

IR

Vibrations