Geometry & MOs

Info

ID:	373099
PubChem CID:	131309936
Reduced:	N5H9C11 (1)
Stoich.:	A5B9C11 (1)
Weight, g/mol:	226.041213
ΔH_f, kcal/mol:	102.5
Dipole, Da:	5.05
IP(EA), eV:	-9.22(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-oxo-2,4-dihydro-1H-thieno[3,4-b]pyrazine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NC2=NC=NC=C2C#N

DOS

IR

Vibrations