Geometry & MOs

Info

ID:	140601
PubChem CID:	52728859
Reduced:	O2N3C21H33 (1)
Stoich.:	A2B3C21D33 (1)
Weight, g/mol:	323.213481
ΔH_f, kcal/mol:	-83.61
Dipole, Da:	3.36
IP(EA), eV:	-8.53(0.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-ethoxypiperidin-1-ium-1-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CCOC1CCN(CC1)CC(=O)N2CCN(CC2)CC3=CC=CC=C3C

DOS

IR

Vibrations