Geometry & MOs

Info

ID:	257498
PubChem CID:	103146624
Reduced:	IF2N2O2H13C14 (1)
Stoich.:	AB2C2D2E13F14 (1)
Weight, g/mol:	343.98333
ΔH_f, kcal/mol:	-117.71
Dipole, Da:	8.37
IP(EA), eV:	-9.23(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-6-methyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)CCOCC(F)F)I

DOS

IR

Vibrations