Geometry & MOs

Info

ID:	428499
PubChem CID:	135167549
Reduced:	O2H5C9 (2)
Stoich.:	A2B5C9 (2)
Weight, g/mol:	304.073559
ΔH_f, kcal/mol:	-66.81
Dipole, Da:	2.48
IP(EA), eV:	-8.88(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,8,13-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4(9),10,14,16,18,20-octaen-2-one

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C3C(=C2)C(=O)C4=CC5=CC=CC=C5C=C4O3

DOS

IR

Vibrations