Geometry & MOs

Info

ID:	51528
PubChem CID:	12014211
Reduced:	O2C15H16 (1)
Stoich.:	A2B15C16 (1)
Weight, g/mol:	186.104465
ΔH_f, kcal/mol:	-44.71
Dipole, Da:	1.94
IP(EA), eV:	-9.36(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]1C3=CC=CC=C23)C=C

DOS

IR

Vibrations