Geometry & MOs

Info

ID:	166627
PubChem CID:	74718333
Reduced:	N3O3C15H26 (1)
Stoich.:	A3B3C15D26 (1)
Weight, g/mol:	442.186577
ΔH_f, kcal/mol:	-147.27
Dipole, Da:	10.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768079
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)NC1C)C[NH+]2CCCCC2C

DOS

IR

Vibrations