Geometry & MOs

Info

ID:	85615
PubChem CID:	49877692
Reduced:	ClNO2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	463.13795
ΔH_f, kcal/mol:	-80.77
Dipole, Da:	1.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761408
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[hydroxy-(4-propoxyphenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

C1CC(OC1)COC2=CC=CC(=C2)N.[Cl-]

DOS

IR

Vibrations