Geometry & MOs

Info

ID:	190712
PubChem CID:	78046222
Reduced:	O2C6H11 (4)
Stoich.:	A2B6C11 (4)
Weight, g/mol:	232.084792
ΔH_f, kcal/mol:	-413.72
Dipole, Da:	7.18
IP(EA), eV:	-9.7(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-oxo-8aH-quinoxalin-6-yl)acetate

Drug info:

PubChemData

Smile

C1C(C(C(C(O1)CO)O)(O)OCCCCCCCCC=CCCCCCCCC(=O)O)O

DOS

IR

Vibrations