Geometry & MOs

Info

ID:	431308
PubChem CID:	135171379
Reduced:	ClFO3N4C20H22 (1)
Stoich.:	ABC3D4E20F22 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-111.36
Dipole, Da:	7.44
IP(EA), eV:	-9.15(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methylpyrimidine

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1Cl)CO)N2CC[C@H]([C@H](C2)F)OC3=CC4=C(CN(C4=O)C)C=C3

DOS

IR

Vibrations