Geometry & MOs

Info

ID:	364910
PubChem CID:	127316498
Reduced:	ON5C19H29 (1)
Stoich.:	AB5C19D29 (1)
Weight, g/mol:	376.156912
ΔH_f, kcal/mol:	1.9
Dipole, Da:	3.2
IP(EA), eV:	-8.62(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCC#N)C)CCC(=O)N2CCN(CC2)C3CCC3

DOS

IR

Vibrations