Geometry & MOs

Info

ID:	71502
PubChem CID:	48414967
Reduced:	SO2N3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	-5.94
Dipole, Da:	2.21
IP(EA), eV:	-8.96(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC3=C(C=C2)SCC(=O)N3

DOS

IR

Vibrations