Geometry & MOs

Info

ID:	338327
PubChem CID:	127259019
Reduced:	SO3C17H22 (1)
Stoich.:	AB3C17D22 (1)
Weight, g/mol:	224.116092
ΔH_f, kcal/mol:	-113.89
Dipole, Da:	2.02
IP(EA), eV:	-8.96(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-(3-oxo-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-ylidene)methyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC(COC1=CCCCC1C2=CC=CC=C2)SC

DOS

IR

Vibrations