Geometry & MOs

Info

ID:	416278
PubChem CID:	135089290
Reduced:	ClN2O3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	262.122989
ΔH_f, kcal/mol:	-118.04
Dipole, Da:	4.39
IP(EA), eV:	-8.83(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-methoxy-N-[1-(6-methylpyridin-3-yl)ethyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)COC3=CC=CC=C3Cl)CO

DOS

IR

Vibrations