Geometry & MOs

Info

ID:	291590
PubChem CID:	113446159
Reduced:	ON2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	320.9913
ΔH_f, kcal/mol:	7.13
Dipole, Da:	2.77
IP(EA), eV:	-8.89(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromo-3-fluorophenoxy)-2-methylpyrazolo[1,5-a]pyrazine

Drug info:

PubChemData

Smile

C1C(C=CC1NC2=NC=CN3C2=CC=N3)C(=O)O

DOS

IR

Vibrations