Geometry & MOs

Info

ID:	309862
PubChem CID:	126562973
Reduced:	FO3N5C20H24 (1)
Stoich.:	AB3C5D20E24 (1)
Weight, g/mol:	301.122655
ΔH_f, kcal/mol:	-43.5
Dipole, Da:	0.82
IP(EA), eV:	-8.76(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[2-fluoro-3-(hydroxymethyl)phenyl]pyrimidin-2-yl]piperidin-4-one

Drug info:

PubChemData

Smile

CN1CCOC(C1)CON=C2CN(C2)C3=NC=C(C=N3)C4=CC=CC(=C4F)CO

DOS

IR

Vibrations