Geometry & MOs

Info

ID:	129989
PubChem CID:	51074490
Reduced:	SO2N4C13H20 (1)
Stoich.:	AB2C4D13E20 (1)
Weight, g/mol:	278.163043
ΔH_f, kcal/mol:	-75.17
Dipole, Da:	3.22
IP(EA), eV:	-9.2(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-ylmethyl)-4-(2-methoxyethyl)piperazine

Drug info:

PubChemData

Smile

CC1=NSC(=C1C(=O)NC2CCN(CC2)C(=O)C)NC

DOS

IR

Vibrations