Geometry & MOs

Info

ID:	254904
PubChem CID:	103128595
Reduced:	BrFON2H14C16 (1)
Stoich.:	ABCD2E14F16 (1)
Weight, g/mol:	269.083413
ΔH_f, kcal/mol:	-12.71
Dipole, Da:	6.64
IP(EA), eV:	-8.91(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-ol

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(CC3=CC(=C(C=C3)F)Br)O

DOS

IR

Vibrations