Geometry & MOs

Info

ID:	396752
PubChem CID:	135029147
Reduced:	F3O3C16H19 (1)
Stoich.:	A3B3C16D19 (1)
Weight, g/mol:	249.111341
ΔH_f, kcal/mol:	-284.53
Dipole, Da:	3.51
IP(EA), eV:	-9.67(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-3-pyrimidin-2-yl-2,4-dihydropyran-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2([C@@H](C1)[C@H](C3=CC=C(C=C3)C(F)(F)F)O)OCCO2

DOS

IR

Vibrations