Geometry & MOs

Info

ID:	394957
PubChem CID:	135024274
Reduced:	NOH15C22 (1)
Stoich.:	ABC15D22 (1)
Weight, g/mol:	308.089603
ΔH_f, kcal/mol:	70.41
Dipole, Da:	4.52
IP(EA), eV:	-9.22(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 1-methyl-5,9-dioxo-8-oxatricyclo[5.2.2.02,6]undec-2(6)-ene-10,11-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C(=O)C3=CC=CC=C3C4=CC=CC=N4

DOS

IR

Vibrations