Geometry & MOs

Info

ID:	264890
PubChem CID:	103500900
Reduced:	ClFN5H9C13 (1)
Stoich.:	ABC5D9E13 (1)
Weight, g/mol:	227.152144
ΔH_f, kcal/mol:	56.83
Dipole, Da:	10.08
IP(EA), eV:	-8.85(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethyl-4-hydroxybutyl)-3,4-dimethylpyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

C1CN(C2=C1C=CC(=C2)F)C3=NC(=NC4=C3NC=N4)Cl

DOS

IR

Vibrations