Geometry & MOs

Info

ID:	127742
PubChem CID:	51013357
Reduced:	N3O9C30H43 (1)
Stoich.:	A3B9C30D43 (1)
Weight, g/mol:	342.303499
ΔH_f, kcal/mol:	-286.02
Dipole, Da:	8.32
IP(EA), eV:	-9.01(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

(1R,5R)-1,3,3-trimethyl-6-[1-(2-phenylethyl)piperidin-1-ium-4-yl]-6-azoniabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

C[C@]12CC(C3C(C1CC[C@@]2(C(=O)COC(=O)CN4CCN(CC4)CCCO[N+](=O)[O-])O)CCC5=CC(=O)C=C[C@]35C)O

DOS

IR

Vibrations