Geometry & MOs

Info

ID:	12642
PubChem CID:	142441
Reduced:	OC2H2 (3)
Stoich.:	AB2C2 (3)
Weight, g/mol:	126.031694
ΔH_f, kcal/mol:	-47.11
Dipole, Da:	2.23
IP(EA), eV:	-8.3(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4,7-trioxonine

Drug info:

PubChemData

Smile

C1=COC=COC=CO1

DOS

IR

Vibrations