Geometry & MOs

Info

ID:	37067
PubChem CID:	8016478
Reduced:	N2O5H18C23 (1)
Stoich.:	A2B5C18D23 (1)
Weight, g/mol:	353.259289
ΔH_f, kcal/mol:	-94.71
Dipole, Da:	5.28
IP(EA), eV:	-8.32(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[(2S)-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperidin-1-ium-2-yl]pyridine

Drug info:

PubChemData

Smile

CC(=O)COC1=CC2=C(C=C1)N3C4=C2C=CN=C4C5=C(C3=O)C(=C(C=C5)OC)OC

DOS

IR

Vibrations