Geometry & MOs

Info

ID:	344113
PubChem CID:	127267289
Reduced:	FO2N3C11H12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	237.091355
ΔH_f, kcal/mol:	-74.7
Dipole, Da:	2.87
IP(EA), eV:	-9.41(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=NN(C1=O)C)C2=C(C=CC(=C2)F)CO

DOS

IR

Vibrations