Geometry & MOs

Info

ID:	420376
PubChem CID:	135112808
Reduced:	S2O3N4C15H20 (1)
Stoich.:	A2B3C4D15E20 (1)
Weight, g/mol:	290.185509
ΔH_f, kcal/mol:	-45.95
Dipole, Da:	4.7
IP(EA), eV:	-9.05(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[ethyl(methyl)amino]pyrimidin-2-yl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC2=NN=C(S2)C3=CC=CC=C3

DOS

IR

Vibrations