Geometry & MOs

Info

ID:	71658
PubChem CID:	48415166
Reduced:	ClON4C19H21 (1)
Stoich.:	ABC4D19E21 (1)
Weight, g/mol:	395.184506
ΔH_f, kcal/mol:	73.02
Dipole, Da:	4.89
IP(EA), eV:	-8.85(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-but-3-ynylpiperazine-1-carbonyl)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)N2CCN(CC2)CCC#C)Cl)C3=CC=CC=C3

DOS

IR

Vibrations