Geometry & MOs

Info

ID:	134523
PubChem CID:	51710787
Reduced:	FN3O4C28H28 (1)
Stoich.:	AB3C4D28E28 (1)
Weight, g/mol:	489.206385
ΔH_f, kcal/mol:	-102.46
Dipole, Da:	2.77
IP(EA), eV:	-8.58(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-1-hydroxyethylidene]-[3-(3-methoxyphenyl)-4-oxochromen-2-yl]azanium

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=C(OC3=CC=CC=C3C2=O)[NH+]=C(C[NH+]4CCN(CC4)C5=CC=C(C=C5)F)O

DOS

IR

Vibrations