Geometry & MOs

Info

ID:	380007
PubChem CID:	134964473
Reduced:	OC14H20 (1)
Stoich.:	AB14C20 (1)
Weight, g/mol:	240.175225
ΔH_f, kcal/mol:	-53.52
Dipole, Da:	2.46
IP(EA), eV:	-9.06(0.65)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3aR,6aS)-1-methylidene-6a-[(E)-3-phenylprop-2-enyl]-2,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-1-ium

Drug info:

PubChemData

Smile

C[C@@H]([C@@H]1CCC(O1)(C)C)C2=CC=CC=C2

DOS

IR

Vibrations