Geometry & MOs

Info

ID:	124954
PubChem CID:	50905218
Reduced:	O7C25H38 (1)
Stoich.:	A7B25C38 (1)
Weight, g/mol:	595.84548
ΔH_f, kcal/mol:	-266.28
Dipole, Da:	2.86
IP(EA), eV:	-9.11(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aR)-2-(4-chlorophenyl)-6a-propan-2-yl-3a,4,5,6-tetrahydro-3H-cyclopenta[c]pyrazol-2-ium;hexachloroantimony(1-)

Drug info:

PubChemData

Smile

CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)OC)C(CCC(CCC2=CC=CC=C2)(C=C)O)(C=C)O)OC

DOS

IR

Vibrations