Geometry & MOs

Info

ID:	218906
PubChem CID:	85090142
Reduced:	ClSN2O2H25C31 (1)
Stoich.:	ABC2D2E25F31 (1)
Weight, g/mol:	525.21038
ΔH_f, kcal/mol:	73.2
Dipole, Da:	5.2
IP(EA), eV:	-8.04(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-ethyl-8-(2-methylpropyl)-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohexane-1-carboxylate;iodide

Drug info:

PubChemData

Smile

C1CC1(CC(=O)O)CSC2=C3C=C(C=CC3=CC=C4C2=CCC=N4)C=CC5=NC6=C(C=CC(=C6)Cl)C=C5

DOS

IR

Vibrations