Geometry & MOs

Info

ID:	365264
PubChem CID:	127317609
Reduced:	SN3O3C15H27 (1)
Stoich.:	AB3C3D15E27 (1)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	-125.47
Dipole, Da:	5.64
IP(EA), eV:	-8.91(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCN(CC1)C2CCC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations