Geometry & MOs

Info

ID:	385688
PubChem CID:	134979735
Reduced:	OC12H12 (1)
Stoich.:	AB12C12 (1)
Weight, g/mol:	160.088815
ΔH_f, kcal/mol:	19.6
Dipole, Da:	2.89
IP(EA), eV:	-9.35(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2Z,4Z,6R)-bicyclo[4.3.2]undeca-2,4,10-trien-8-one

Drug info:

PubChemData

Smile

C=C/C=C\CC1=CC=CC=C1C=O

DOS

IR

Vibrations