Geometry & MOs

Info

ID:	361347
PubChem CID:	127302656
Reduced:	O2N5C21H33 (1)
Stoich.:	A2B5C21D33 (1)
Weight, g/mol:	383.212139
ΔH_f, kcal/mol:	-81.64
Dipole, Da:	5.95
IP(EA), eV:	-8.91(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzamide

Drug info:

PubChemData

Smile

C1CCC(C1)CCC(=O)N2CCN(CC2)C3=CC(=NC=N3)N4CCCC4CO

DOS

IR

Vibrations