Geometry & MOs

Info

ID:	23082
PubChem CID:	601677
Reduced:	OH12C15 (1)
Stoich.:	AB12C15 (1)
Weight, g/mol:	208.088815
ΔH_f, kcal/mol:	68.61
Dipole, Da:	3.17
IP(EA), eV:	-9.28(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentacyclo[7.4.1.12,7.01,9.02,7]pentadeca-3,5,10,12-tetraen-8-one

Drug info:

PubChemData

Smile

C1C23C1(C=CC=C2)C45CC4(C3=O)C=CC=C5

DOS

IR

Vibrations