Geometry & MOs

Info

ID:	67880
PubChem CID:	46507356
Reduced:	F3O3N4H9C17 (1)
Stoich.:	A3B3C4D9E17 (1)
Weight, g/mol:	257.071975
ΔH_f, kcal/mol:	-140.28
Dipole, Da:	1.19
IP(EA), eV:	-9.75(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)C2=NNN3C2=NC(=O)C4=C3C=C(C=C4)C(=O)O

DOS

IR

Vibrations