Geometry & MOs

Info

ID:	51525
PubChem CID:	12014207
Reduced:	ClC13H13 (1)
Stoich.:	AB13C13 (1)
Weight, g/mol:	340.113316
ΔH_f, kcal/mol:	35.93
Dipole, Da:	2.07
IP(EA), eV:	-9.41(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,8S,9R,11S)-10-tetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-trienyl]methyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations