Geometry & MOs

Info

ID:	134522
PubChem CID:	51710786
Reduced:	N3O4C28H29 (1)
Stoich.:	A3B4C28D29 (1)
Weight, g/mol:	489.206385
ΔH_f, kcal/mol:	-30.68
Dipole, Da:	14.76
IP(EA), eV:	-7.47(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[2-[4-(4-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=CC=C5)O

DOS

IR

Vibrations