Geometry & MOs

Info

ID:	166766
PubChem CID:	74731311
Reduced:	N2O4C23H25 (1)
Stoich.:	A2B4C23D25 (1)
Weight, g/mol:	501.179239
ΔH_f, kcal/mol:	-85.88
Dipole, Da:	9.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.795428
Charge, e:	1

Chem-info

IUPAC name:

4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCCC3C4=CC5=C(C=C4)OCCCO5

DOS

IR

Vibrations