Geometry & MOs

Info

ID:	157119
PubChem CID:	56422158
Reduced:	SN2O5C23H26 (1)
Stoich.:	AB2C5D23E26 (1)
Weight, g/mol:	343.153206
ΔH_f, kcal/mol:	-156.05
Dipole, Da:	7.24
IP(EA), eV:	-8.47(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]-2-methylphthalazin-1-one

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2OCCO2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C54

DOS

IR

Vibrations