Geometry & MOs

Info

ID:	242223
PubChem CID:	96079689
Reduced:	FON3H12C14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	248.107339
ΔH_f, kcal/mol:	-6.28
Dipole, Da:	0.97
IP(EA), eV:	-9.38(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-(2-fluorophenyl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methanol

Drug info:

PubChemData

Smile

CN1C2=C(C=CC=N2)N=C1[C@H](C3=CC=CC=C3F)O

DOS

IR

Vibrations