Geometry & MOs

Info

ID:	242232
PubChem CID:	96079705
Reduced:	FON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	253.068511
ΔH_f, kcal/mol:	-7.48
Dipole, Da:	3.55
IP(EA), eV:	-9.79(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-(2-fluorophenyl)-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanol

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2CC2)[C@H](C3=CC=CC=C3F)O

DOS

IR

Vibrations