Geometry & MOs

Info

ID:	126775
PubChem CID:	50977962
Reduced:	SO3N4C16H22 (1)
Stoich.:	AB3C4D16E22 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-55.64
Dipole, Da:	3.5
IP(EA), eV:	-9.4(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2,3-trimethylbut-3-enoyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

Drug info:

PubChemData

Smile

CN(CCC1CCCCO1)C(=O)C2=CC=C(O2)CSC3=NC=NN3

DOS

IR

Vibrations