Geometry & MOs

Info

ID:	333482
PubChem CID:	127252034
Reduced:	ON5C20H21 (1)
Stoich.:	AB5C20D21 (1)
Weight, g/mol:	360.169859
ΔH_f, kcal/mol:	59.77
Dipole, Da:	6.25
IP(EA), eV:	-9.05(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-(2-aminopyrimidin-5-yl)pyridin-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC=C(C=C2)C3CCCCN3C(=O)C4=CN=CC=C4

DOS

IR

Vibrations