Geometry & MOs

Info

ID:	22783
PubChem CID:	598700
Reduced:	O2H8C9 (2)
Stoich.:	A2B8C9 (2)
Weight, g/mol:	296.104859
ΔH_f, kcal/mol:	43.8
Dipole, Da:	5.33
IP(EA), eV:	-9.75(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-oxo-6-phenyl-4-oxatetracyclo[6.2.1.02,7.03,6]undec-9-ene-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C12C3C4CC(C3C1(C(=O)O2)C5=CC=CC=C5)C=C4

DOS

IR

Vibrations