Geometry & MOs

Info

ID:	169317
PubChem CID:	75088822
Reduced:	ON3C7H7 (1)
Stoich.:	AB3C7D7 (1)
Weight, g/mol:	126.022941
ΔH_f, kcal/mol:	17.11
Dipole, Da:	6.49
IP(EA), eV:	-9.51(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-5-methylidenepyrimidin-4-one

Drug info:

PubChemData

Smile

C1C=CNC2=NC=NC(=O)C21

DOS

IR

Vibrations