Geometry & MOs

Info

ID:	215985
PubChem CID:	85085540
Reduced:	OH12C15 (1)
Stoich.:	AB12C15 (1)
Weight, g/mol:	208.088815
ΔH_f, kcal/mol:	53.57
Dipole, Da:	2.99
IP(EA), eV:	-8.58(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tetracyclo[8.3.2.02,9.03,8]pentadeca-3,5,7,12,14-pentaen-11-one

Drug info:

PubChemData

Smile

COC=CC#CC1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations