Geometry & MOs

Info

ID:	44672
PubChem CID:	10505246
Reduced:	N3O3F7H16C21 (1)
Stoich.:	A3B3C7D16E21 (1)
Weight, g/mol:	491.13213
ΔH_f, kcal/mol:	-333.38
Dipole, Da:	3.34
IP(EA), eV:	-9.02(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-5-cyclohexyl-5-methyl-2,2-diphenyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-ium;iodide

Drug info:

PubChemData

Smile

C[C@H]([C@]1(CO1)C2=C(C=C(C=C2)F)F)OC3=NC=NN3C4=CC=C(C=C4)OCC(C(F)(F)F)(F)F

DOS

IR

Vibrations