Geometry & MOs

Info

ID:	128059
PubChem CID:	51029240
Reduced:	NO7H19C20 (1)
Stoich.:	AB7C19D20 (1)
Weight, g/mol:	228.078644
ΔH_f, kcal/mol:	-217.76
Dipole, Da:	5.3
IP(EA), eV:	-8.8(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,11S)-6-oxatetracyclo[9.2.2.02,10.04,8]pentadeca-2,9,12-triene-5,7-dione

Drug info:

PubChemData

Smile

CCCOC(=O)C1=C[C@@H]2[C@H]3[C@H]([C@H]1OC2=O)C(=O)N(C3=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations