Geometry & MOs

Info

ID:	242227
PubChem CID:	96079697
Reduced:	FON3H10C13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	244.076039
ΔH_f, kcal/mol:	9.08
Dipole, Da:	4.81
IP(EA), eV:	-9.42(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-(2-fluorophenyl)-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[C@H](C2=NN=C3N2C=CC=C3)O)F

DOS

IR

Vibrations