Geometry & MOs

Info

ID:

166360

PubChem CID:

74676867

Reduced:

FO2N3C21H27 (1)

Stoich.:

AB2C3D21E27 (1)

Weight, g/mol:

387.10834

ΔHf, kcal/mol:

-103.27

Dipole, Da:

1.72

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.958839

Charge, e:

 1

Chem-info

IUPAC name:

2-(2-bromo-4-fluorophenoxy)-N-[3-(3-methylpiperidin-1-ium-1-yl)propyl]acetamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=[NH+]C=C(C=C2)CNC(=O)CCC3=CC(=CC=C3)F

DOS

IR

Vibrations