Geometry & MOs

Info

ID:	442382
PubChem CID:	135251733
Reduced:	NOC15H15 (1)
Stoich.:	ABC15D15 (1)
Weight, g/mol:	242.08777
ΔH_f, kcal/mol:	7.32
Dipole, Da:	3.21
IP(EA), eV:	-8.96(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,8-diethyl-[1]benzothiolo[2,3-b]pyrazine

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)OC3=C2C=CN=C3CC

DOS

IR

Vibrations