Geometry & MOs

Info

ID:	403726
PubChem CID:	135061513
Reduced:	S2O8C23H24 (1)
Stoich.:	A2B8C23D24 (1)
Weight, g/mol:	230.203451
ΔH_f, kcal/mol:	-251.83
Dipole, Da:	7.19
IP(EA), eV:	-9.91(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6R)-3-ethenyl-4-hexyltricyclo[4.2.1.02,5]non-3-ene

Drug info:

PubChemData

Smile

COC(=O)C1(C[C@H](C(C1)(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C=C)C(=O)OC

DOS

IR

Vibrations