Geometry & MOs

Info

ID:	228971
PubChem CID:	87566546
Reduced:	BrClO3N6C20H20 (1)
Stoich.:	ABC3D6E20F20 (1)
Weight, g/mol:	295.214744
ΔH_f, kcal/mol:	-25.23
Dipole, Da:	2.27
IP(EA), eV:	-9.24(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-5-oxopyrrolidin-1-yl)dodecane-1,3-dione

Drug info:

PubChemData

Smile

CNC(=O)[C@@]12C[C@@H]1[C@@H]([C@@H]([C@@H]2O)O)N3C=NC4=C(N=C(N=C43)Cl)NCC5=CC(=CC=C5)Br

DOS

IR

Vibrations