Geometry & MOs

Info

ID:	344112
PubChem CID:	127267288
Reduced:	ON2C5H6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	237.091355
ΔH_f, kcal/mol:	-12.93
Dipole, Da:	3.15
IP(EA), eV:	-8.89(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-fluoro-2-(hydroxymethyl)phenyl]-2,4-dimethyl-1,2,4-triazol-3-one

Drug info:

PubChemData

Smile

CN1C(=NN(C1=O)C)C2=CN=C(C=C2)OC

DOS

IR

Vibrations