Geometry & MOs

Info

ID:	367097
PubChem CID:	127323150
Reduced:	SO3N4C18H28 (1)
Stoich.:	AB3C4D18E28 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-99.63
Dipole, Da:	7.54
IP(EA), eV:	-8.74(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyclobutylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)C3CCC3)S(=O)(=O)NC

DOS

IR

Vibrations