Geometry & MOs

Info

ID:	257491
PubChem CID:	103146577
Reduced:	NSF2O3C11H13 (1)
Stoich.:	ABC2D3E11F13 (1)
Weight, g/mol:	298.092912
ΔH_f, kcal/mol:	-186.61
Dipole, Da:	6.18
IP(EA), eV:	-9.83(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-phenyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC1C2=C(SC(=N2)CCOCC(F)F)C(=O)O

DOS

IR

Vibrations