Geometry & MOs

Info

ID:	257581
PubChem CID:	103147198
Reduced:	FOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	216.071034
ΔH_f, kcal/mol:	-179.18
Dipole, Da:	2.33
IP(EA), eV:	-9.33(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-difluoroethoxy)-1-pyrimidin-5-ylpropan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCC(=O)CCOCC(F)F

DOS

IR

Vibrations