Geometry & MOs

Info

ID:	403501
PubChem CID:	135060609
Reduced:	OC13H18 (1)
Stoich.:	AB13C18 (1)
Weight, g/mol:	162.042927
ΔH_f, kcal/mol:	-30.66
Dipole, Da:	2.13
IP(EA), eV:	-9.38(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxido-4H-quinoxalin-1-ium-6-one

Drug info:

PubChemData

Smile

C[C@@H]([C@H]1C[C@H]1CCC2=CC=CC=C2)O

DOS

IR

Vibrations