Geometry & MOs

Info

ID:	133754
PubChem CID:	51586356
Reduced:	NOC8H11 (3)
Stoich.:	ABC8D11 (3)
Weight, g/mol:	334.205656
ΔH_f, kcal/mol:	-103.75
Dipole, Da:	4.52
IP(EA), eV:	-8.62(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[(3R)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-[[5-(hydroxymethyl)furan-2-yl]methyl]-methylazanium

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C(N=C2C=C1)C)OCC(=O)N(C[C@@H]3CCCO3)C4CCN(CC4)C

DOS

IR

Vibrations