Geometry & MOs

Info

ID:	417525
PubChem CID:	135098564
Reduced:	SO4N6C15H20 (1)
Stoich.:	AB4C6D15E20 (1)
Weight, g/mol:	318.149204
ΔH_f, kcal/mol:	-61.83
Dipole, Da:	5.23
IP(EA), eV:	-9.63(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-4-yl]-pyridin-2-ylmethanol

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=CC=CC=C2C3=NNN=N3

DOS

IR

Vibrations