Geometry & MOs

Info

ID:	44021
PubChem CID:	10322928
Reduced:	NCl4O5H17C19 (1)
Stoich.:	AB4C5D17E19 (1)
Weight, g/mol:	481.11139
ΔH_f, kcal/mol:	-207.36
Dipole, Da:	7.25
IP(EA), eV:	-8.93(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dimethylpiperidin-1-ium-4-yl) 2-hydroxy-2-(4-methylphenyl)-2-phenylacetate;iodide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)C(C)C)OC2=C(C(=C(C(=C2Cl)Cl)NC(=O)CC(=O)O)Cl)Cl

DOS

IR

Vibrations