Geometry & MOs

Info

ID:	134230
PubChem CID:	51665780
Reduced:	N3O3H25C28 (1)
Stoich.:	A3B3C25D28 (1)
Weight, g/mol:	343.238553
ΔH_f, kcal/mol:	10.22
Dipole, Da:	3.42
IP(EA), eV:	-8.51(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl (1S,8R)-1'-benzylspiro[1,2,5,6,7,8-hexahydropyrrolizine-3,4'-piperidin-1-ium]-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C(=O)[C@@]23N4[C@@H](CC(=N4)C5=CC=C(C=C5)OC)C6=CC=CC=C6O3)CC=C

DOS

IR

Vibrations