Geometry & MOs

Info

ID:	242225
PubChem CID:	96079694
Reduced:	FON3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	243.08079
ΔH_f, kcal/mol:	-27.28
Dipole, Da:	6.8
IP(EA), eV:	-9.77(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(N1C)[C@@H](C2=CC=CC=C2F)O

DOS

IR

Vibrations