Geometry & MOs

Info

ID:	71659
PubChem CID:	48415167
Reduced:	N3O4C22H25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	339.158292
ΔH_f, kcal/mol:	-77.65
Dipole, Da:	2.96
IP(EA), eV:	-9.31(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4

DOS

IR

Vibrations