Geometry & MOs

Info

ID:	193952
PubChem CID:	78459500
Reduced:	NO6C20H23 (1)
Stoich.:	AB6C20D23 (1)
Weight, g/mol:	398.160363
ΔH_f, kcal/mol:	-208.15
Dipole, Da:	3.96
IP(EA), eV:	-9.24(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(2,4-dimethoxyphenyl)methylidene]-6-hydroxy-7-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-one

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=CO1)OC(=O)CCCOC2=CC=C(C=C2)C(=O)C

DOS

IR

Vibrations