Geometry & MOs

Info

ID:	374578
PubChem CID:	131331706
Reduced:	N3H9C10 (1)
Stoich.:	A3B9C10 (1)
Weight, g/mol:	226.041213
ΔH_f, kcal/mol:	73.52
Dipole, Da:	3.04
IP(EA), eV:	-9.03(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-methyl-3-oxo-2,4-dihydro-1H-thieno[3,4-b]pyrazine-7-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1CN)C=C(N2)C#N

DOS

IR

Vibrations