Geometry & MOs

Info

ID:	59717
PubChem CID:	24894735
Reduced:	SiO3C20H32 (1)
Stoich.:	AB3C20D32 (1)
Weight, g/mol:	583.15834
ΔH_f, kcal/mol:	-168.72
Dipole, Da:	2.11
IP(EA), eV:	-9.21(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-methyl-2-[(1S)-1-phenylethyl]-2-azoniabicyclo[2.2.1]heptan-7-yl] 2-(2-hydroxyphenyl)-2-(4-methylphenyl)acetate;iodide

Drug info:

PubChemData

Smile

CCC(CC)(C(CC(=O)OCC)/C=C/[Si](C)(C)C1=CC=CC=C1)O

DOS

IR

Vibrations