Geometry & MOs

Info

ID:	28905
PubChem CID:	830483
Reduced:	SN5C11H11 (1)
Stoich.:	AB5C11D11 (1)
Weight, g/mol:	298.142976
ΔH_f, kcal/mol:	104.79
Dipole, Da:	5.98
IP(EA), eV:	-9.07(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 6-morpholin-4-ylpyrazine-2-carboximidate

Drug info:

PubChemData

Smile

CNC(=S)[C@@H](C#N)C1=NC2=C(N1C)N=CC=C2

DOS

IR

Vibrations