Geometry & MOs

Info

ID:	291776
PubChem CID:	113488857
Reduced:	O2N3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	288.09662
ΔH_f, kcal/mol:	42.11
Dipole, Da:	7.02
IP(EA), eV:	-9.31(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,4-dithian-2-ylmethyl)-3-ethyl-6-methylpiperazine-2,5-dione

Drug info:

PubChemData

Smile

CCC1(CCC1)NC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

DOS

IR

Vibrations