Geometry & MOs

Info

ID:	224535
PubChem CID:	85344604
Reduced:	OC14H14 (1)
Stoich.:	AB14C14 (1)
Weight, g/mol:	203.033091
ΔH_f, kcal/mol:	8.13
Dipole, Da:	2.15
IP(EA), eV:	-9.4(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxido-5aH-[1,2]oxazolo[3,4-c]cinnolin-5-ium-1-one

Drug info:

PubChemData

Smile

C1C=CCC2C1C3C4=CC=CC=C4C2O3

DOS

IR

Vibrations