Geometry & MOs

Info

ID:	200756
PubChem CID:	79438942
Reduced:	N2Cl3F3H6C12 (1)
Stoich.:	A2B3C3D6E12 (1)
Weight, g/mol:	276.09102
ΔH_f, kcal/mol:	-120.36
Dipole, Da:	3.75
IP(EA), eV:	-9.89(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=C(N=C(N=C2Cl)CC(F)(F)F)Cl)Cl

DOS

IR

Vibrations