Geometry & MOs

Info

ID:	53376
PubChem CID:	14710840
Reduced:	OC13H18 (1)
Stoich.:	AB13C18 (1)
Weight, g/mol:	190.135765
ΔH_f, kcal/mol:	-16.58
Dipole, Da:	1.16
IP(EA), eV:	-8.91(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6R,11S)-11-methoxy-8-methylbicyclo[4.4.1]undeca-2,4,8-triene

Drug info:

PubChemData

Smile

CC1=CCC2C=CC=CC(C1)C2OC

DOS

IR

Vibrations