Geometry & MOs

Info

ID:	175598
PubChem CID:	75926058
Reduced:	ON2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	247.181038
ΔH_f, kcal/mol:	-48.03
Dipole, Da:	2.97
IP(EA), eV:	-8.72(0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[1-[(2-methylphenyl)methyl]piperidin-1-ium-2-yl]acetamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)CC(=O)N)CCCC2=CC=CC=C2

DOS

IR

Vibrations