Geometry & MOs

Info

ID:	229009
PubChem CID:	87566767
Reduced:	FSN4O5C28H37 (1)
Stoich.:	ABC4D5E28F37 (1)
Weight, g/mol:	297.230394
ΔH_f, kcal/mol:	-162.29
Dipole, Da:	2.52
IP(EA), eV:	-8.48(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(hydroxymethyl)pyrrolidin-1-yl]dodecane-1,3-dione

Drug info:

PubChemData

Smile

CCOC(=O)CCCN1N(C=CN1C(=O)OCC)/C=C\2/CN(CCC2S)C(C3=CC=CC=C3F)C(=O)C4CC4

DOS

IR

Vibrations