Geometry & MOs

Info

ID:	164837
PubChem CID:	74460455
Reduced:	FO4N6C24H33 (1)
Stoich.:	AB4C6D24E33 (1)
Weight, g/mol:	449.146109
ΔH_f, kcal/mol:	-148.47
Dipole, Da:	10.48
IP(EA), eV:	-9.46(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-oxoethyl]phthalazin-2-ium-1,4-dione

Drug info:

PubChemData

Smile

CCOC(=O)CN1C(=NN=N1)CN(CC2CC3CC(CCC3NC2=O)OC)CC4=CC=C(C=C4)F

DOS

IR

Vibrations