Geometry & MOs

Info

ID:	385762
PubChem CID:	134979924
Reduced:	OC8H10 (2)
Stoich.:	AB8C10 (2)
Weight, g/mol:	406.02388
ΔH_f, kcal/mol:	-70.87
Dipole, Da:	2.05
IP(EA), eV:	-9.56(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,6R)-1-(4-chlorophenyl)selanyl-6-phenylcyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CC=C[C@@H]([C@@H]1C(=O)OCC2=CC=CC=C2)C

DOS

IR

Vibrations