Geometry & MOs

Info

ID:	10784
PubChem CID:	107922
Reduced:	OH10C18 (1)
Stoich.:	AB10C18 (1)
Weight, g/mol:	242.073165
ΔH_f, kcal/mol:	70.36
Dipole, Da:	2.51
IP(EA), eV:	-8.53(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxahexacyclo[13.3.1.02,4.05,18.08,17.011,16]nonadeca-1(19),5(18),6,8(17),9,11(16),12,14-octaene

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1)C=C4C5C(O5)C6=C4C3=C(C=C2)C=C6

DOS

IR

Vibrations