Geometry & MOs

Info

ID:	124957
PubChem CID:	50905228
Reduced:	SbN2Cl7C15H20 (1)
Stoich.:	AB2C7D15E20 (1)
Weight, g/mol:	263.131501
ΔH_f, kcal/mol:	-54.35
Dipole, Da:	12.67
IP(EA), eV:	-8.41(-2.83)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3aS,6aS)-2-(4-chlorophenyl)-5,5,6a-trimethyl-3,3a,4,6-tetrahydrocyclopenta[c]pyrazol-2-ium

Drug info:

PubChemData

Smile

C[C@]12CC(C[C@H]1C[N+](=N2)C3=CC=C(C=C3)Cl)(C)C.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl

DOS

IR

Vibrations