Geometry & MOs

Info

ID:	224589
PubChem CID:	85345152
Reduced:	O4C15H24 (1)
Stoich.:	A4B15C24 (1)
Weight, g/mol:	268.14633
ΔH_f, kcal/mol:	-163.38
Dipole, Da:	2.32
IP(EA), eV:	-9.79(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyltricyclo[5.3.1.02,6]undecane-4,11-dione

Drug info:

PubChemData

Smile

CC1C2CC(C1(CCCOCOC)C(=O)OC)C=C2

DOS

IR

Vibrations