Geometry & MOs

Info

ID:	37804
PubChem CID:	8024602
Reduced:	SN2F3O3H13C16 (1)
Stoich.:	AB2C3D3E13F16 (1)
Weight, g/mol:	287.152144
ΔH_f, kcal/mol:	-206.86
Dipole, Da:	6.85
IP(EA), eV:	-9.05(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-8-methyl-4-[[(2R)-2-methylpiperidin-1-yl]methyl]chromen-2-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C(=C(C=C1)F)F)F)OC(=O)C2=C(N=CC=C2)SC

DOS

IR

Vibrations