Geometry & MOs

Info

ID:	85610
PubChem CID:	49877654
Reduced:	ClON3C11H21 (1)
Stoich.:	ABC3D11E21 (1)
Weight, g/mol:	487.210721
ΔH_f, kcal/mol:	-36.21
Dipole, Da:	5.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756241
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-(4-prop-2-enoxyphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)N2CCNCC2.[Cl-]

DOS

IR

Vibrations