Geometry & MOs

Info

ID:	140602
PubChem CID:	52728860
Reduced:	FN2O2C18H28 (1)
Stoich.:	AB2C2D18E28 (1)
Weight, g/mol:	322.205656
ΔH_f, kcal/mol:	-110.42
Dipole, Da:	3.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754453
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC1=CC(=CC=C1)F)C(=O)C[NH+]2CCC(CC2)OCC

DOS

IR

Vibrations