Geometry & MOs

Info

ID:	409351
PubChem CID:	135082131
Reduced:	O5H12C17 (1)
Stoich.:	A5B12C17 (1)
Weight, g/mol:	1049.013487
ΔH_f, kcal/mol:	-118.77
Dipole, Da:	4.3
IP(EA), eV:	-9.82(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-2-hydroxy-2-[4-[(E)-2-(morpholin-4-ylmethyl)but-2-enyl]morpholin-4-ium-4-yl]ethenyl]isoindole-1,3-dione;trifluoromethanesulfonate;ytterbium(2+)

Drug info:

PubChemData

Smile

C1C(=O)COC(=O)C2=CC=CC(=C2)C3=CC(=CC=C3)C(=O)O1

DOS

IR

Vibrations