Geometry & MOs

Info

ID:	257497
PubChem CID:	103146621
Reduced:	IF2N2O3C8H9 (1)
Stoich.:	AB2C2D3E8F9 (1)
Weight, g/mol:	405.99898
ΔH_f, kcal/mol:	-196.35
Dipole, Da:	3.25
IP(EA), eV:	-9.45(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C(COCC(F)F)C1=NC(=C(C(=O)N1)I)O

DOS

IR

Vibrations