Geometry & MOs

Info

ID:	421175
PubChem CID:	135115511
Reduced:	FO3N5C18H26 (1)
Stoich.:	AB3C5D18E26 (1)
Weight, g/mol:	276.138639
ΔH_f, kcal/mol:	-133.08
Dipole, Da:	6.15
IP(EA), eV:	-8.79(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3=NC=C(C(=N3)N4CCOCC4)F)C(=O)O

DOS

IR

Vibrations