Geometry & MOs

Info

ID:	71382
PubChem CID:	48414745
Reduced:	ON4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	353.173942
ΔH_f, kcal/mol:	84.5
Dipole, Da:	2.68
IP(EA), eV:	-8.94(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-but-3-ynylpiperazin-1-yl)-3-oxopropyl]-5-methylisoindole-1,3-dione

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C=CC=N3

DOS

IR

Vibrations