Geometry & MOs

Info

ID:	333497
PubChem CID:	127252049
Reduced:	SO3N5C17H23 (1)
Stoich.:	AB3C5D17E23 (1)
Weight, g/mol:	401.221561
ΔH_f, kcal/mol:	-62.51
Dipole, Da:	3.7
IP(EA), eV:	-8.65(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(2-aminopyrimidin-5-yl)pyridin-3-yl]piperidin-1-yl]-4-phenylbutan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC=C(C=C2)C3CCCCN3C(=O)CNS(=O)(=O)C

DOS

IR

Vibrations