Geometry & MOs

Info

ID:	442279
PubChem CID:	135250972
Reduced:	NF2C21H27 (1)
Stoich.:	AB2C21D27 (1)
Weight, g/mol:	258.085186
ΔH_f, kcal/mol:	-76.12
Dipole, Da:	3.36
IP(EA), eV:	-9.75(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]pyrrole-2,5-dione

Drug info:

PubChemData

Smile

CCCCC(CC)(C1=C(C(=CC(=C1)F)F)C2=CC=CC=N2)C(C)C

DOS

IR

Vibrations