Geometry & MOs

Info

ID:	12697
PubChem CID:	144013
Reduced:	OH12C13 (1)
Stoich.:	AB12C13 (1)
Weight, g/mol:	184.088815
ΔH_f, kcal/mol:	21.6
Dipole, Da:	3.85
IP(EA), eV:	-9.44(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-tricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraenyl)ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC2=C1C3CC2C=C3

DOS

IR

Vibrations