Geometry & MOs

Info

ID:	254280
PubChem CID:	103123909
Reduced:	ION4H5C9 (1)
Stoich.:	ABC4D5E9 (1)
Weight, g/mol:	257.03559
ΔH_f, kcal/mol:	105.69
Dipole, Da:	7.41
IP(EA), eV:	-9.18(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone

Drug info:

PubChemData

Smile

C1=CC2=C(C=NN2C=C1)C3=NN=C(O3)I

DOS

IR

Vibrations