Geometry & MOs

Info

ID:	5389
PubChem CID:	13094
Reduced:	OH10C18 (1)
Stoich.:	AB10C18 (1)
Weight, g/mol:	242.073165
ΔH_f, kcal/mol:	149.11
Dipole, Da:	4.67
IP(EA), eV:	-7.89(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxapentacyclo[9.8.0.02,8.05,7.013,18]nonadeca-1(19),2(8),3,5(7),9,11,13,15,17-nonaene

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C(=CC2=C1)C=CC4=C3C=CC5=C4O5

DOS

IR

Vibrations