Geometry & MOs

Info

ID:	221389
PubChem CID:	85272353
Reduced:	IC8H11 (1)
Stoich.:	AB8C11 (1)
Weight, g/mol:	234.080456
ΔH_f, kcal/mol:	43.35
Dipole, Da:	2.85
IP(EA), eV:	-9.09(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-2-[(4-methoxyphenyl)methyl]-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCC(=CI)C#CC

DOS

IR

Vibrations