Geometry & MOs

Info

ID:	53147
PubChem CID:	14709658
Reduced:	O2H11C12 (1)
Stoich.:	A2B11C12 (1)
Weight, g/mol:	354.099736
ΔH_f, kcal/mol:	-26.11
Dipole, Da:	1.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.957425
Charge, e:	-2

Chem-info

IUPAC name:

7-cyclohepta-2,4,6-trien-1-ylidenecyclohepta-1,3,5-triene;ditetrafluoroborate

Drug info:

PubChemData

Smile

C1CC(=O)C(C1=O)[C+]2C=CC=CC=C2

DOS

IR

Vibrations