Geometry & MOs

Info

ID:	166823
PubChem CID:	74738773
Reduced:	O4N6C21H27 (1)
Stoich.:	A4B6C21D27 (1)
Weight, g/mol:	527.239341
ΔH_f, kcal/mol:	-77.02
Dipole, Da:	3.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.860764
Charge, e:	1

Chem-info

IUPAC name:

4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-1-(2-morpholin-4-ium-4-ylethyl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CN1C2=NC3=[N+](C2C(=O)N(C1=O)CCN4CCOCC4)CCN3C5=CC(=CC=C5)OC

DOS

IR

Vibrations