Geometry & MOs

Info

ID:	71741
PubChem CID:	48415299
Reduced:	ClON4C18H19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	349.146013
ΔH_f, kcal/mol:	70.33
Dipole, Da:	1.9
IP(EA), eV:	-9.03(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-but-3-ynylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC(=NN2)C3=CC=CC=C3Cl

DOS

IR

Vibrations