Geometry & MOs

Info

ID:	254444
PubChem CID:	103125314
Reduced:	ON2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	348.96175
ΔH_f, kcal/mol:	20.56
Dipole, Da:	3.56
IP(EA), eV:	-8.76(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-chlorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone

Drug info:

PubChemData

Smile

C1C(C1N2C=CNC2=O)C3=CC=CC=C3

DOS

IR

Vibrations