Geometry & MOs

Info

ID:	242226
PubChem CID:	96079696
Reduced:	FON3H10C13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	243.08079
ΔH_f, kcal/mol:	9.51
Dipole, Da:	4.05
IP(EA), eV:	-9.33(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-(2-fluorophenyl)-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations