Geometry & MOs

Info

ID:	200757
PubChem CID:	79439391
Reduced:	FN2O3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	273.066203
ΔH_f, kcal/mol:	-137.18
Dipole, Da:	7.55
IP(EA), eV:	-9.46(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-fluorophenyl)-4-hydroxy-2-(1H-1,2,4-triazol-5-yl)-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

C1CC(OC1)C2=NC(=C(C(=O)N2)C3=CC(=CC=C3)F)O

DOS

IR

Vibrations