Geometry & MOs

Info

ID:	24726
PubChem CID:	612774
Reduced:	NO3H13C18 (1)
Stoich.:	AB3C13D18 (1)
Weight, g/mol:	291.089543
ΔH_f, kcal/mol:	17.5
Dipole, Da:	3.38
IP(EA), eV:	-10.05(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dioxo-9-phenyl-4-oxatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-9-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3C2C4C=CC3C5C4C(=O)OC5=O)C#N

DOS

IR

Vibrations