Geometry & MOs

Info

ID:	242228
PubChem CID:	96079698
Reduced:	FON4H9C12 (1)
Stoich.:	ABC4D9E12 (1)
Weight, g/mol:	244.076039
ΔH_f, kcal/mol:	33.09
Dipole, Da:	5.42
IP(EA), eV:	-9.86(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-(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=C3N2N=CC=C3)O)F

DOS

IR

Vibrations