Geometry & MOs

Info

ID:	79602
PubChem CID:	49829690
Reduced:	ClNO5C22H26 (1)
Stoich.:	ABC5D22E26 (1)
Weight, g/mol:	419.242021
ΔH_f, kcal/mol:	-193.86
Dipole, Da:	5.69
IP(EA), eV:	-8.73(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[4-[2-hydroxy-3-(4-methoxycarbonylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-methyl-(1,2-oxazol-3-ylmethyl)azanium

Drug info:

PubChemData

Smile

CCOC(=O)C1C(C2C(=NC1=C)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)Cl)O)OC

DOS

IR

Vibrations