Geometry & MOs

Info

ID:	51530
PubChem CID:	12014213
Reduced:	OC13H14 (1)
Stoich.:	AB13C14 (1)
Weight, g/mol:	168.0939
ΔH_f, kcal/mol:	17.47
Dipole, Da:	1.78
IP(EA), eV:	-9.28(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,8R)-11-ethenyltricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H]3[C@H]([C@H]1C4=CC=CC=C24)C3CO

DOS

IR

Vibrations