Geometry & MOs

Info

ID:	314786
PubChem CID:	126623096
Reduced:	OF4N4C11H14 (1)
Stoich.:	AB4C4D11E14 (1)
Weight, g/mol:	259.141973
ΔH_f, kcal/mol:	-216.4
Dipole, Da:	2.85
IP(EA), eV:	-9.01(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-butyl 2-O-methyl 5-hydroxy-4-methylpyrrolidine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

C1[C@H](CN[C@@H]1C(=O)NC2=NN(C=C2)CCC(F)(F)F)F

DOS

IR

Vibrations