Geometry & MOs

Info

ID:	420317
PubChem CID:	135112432
Reduced:	NO3C20H29 (1)
Stoich.:	AB3C20D29 (1)
Weight, g/mol:	332.164854
ΔH_f, kcal/mol:	-133.25
Dipole, Da:	2.6
IP(EA), eV:	-8.68(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(2-fluorophenoxy)ethylamino]pyrimidin-4-yl]piperidin-3-ol

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)C(=O)CCC3=CC=C(C=C3)OC

DOS

IR

Vibrations