Geometry & MOs

Info

ID:	257493
PubChem CID:	103146587
Reduced:	N2O2F3C11H15 (1)
Stoich.:	A2B2C3D11E15 (1)
Weight, g/mol:	260.133634
ΔH_f, kcal/mol:	-236.95
Dipole, Da:	7.65
IP(EA), eV:	-9.56(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCC1=CC(=O)N=C(N1)CCOCC(F)(F)F

DOS

IR

Vibrations