Geometry & MOs

Info

ID:	256866
PubChem CID:	103141949
Reduced:	SO2N3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	268.178693
ΔH_f, kcal/mol:	18.53
Dipole, Da:	9.59
IP(EA), eV:	-9.02(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-butan-2-yl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione

Drug info:

PubChemData

Smile

CCSCCC(C)NC1=C2C=NC=CC2=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations