Geometry & MOs

Info

ID:	135543
PubChem CID:	51889027
Reduced:	O2N4C23H36 (1)
Stoich.:	A2B4C23D36 (1)
Weight, g/mol:	279.187267
ΔH_f, kcal/mol:	-90.38
Dipole, Da:	5.12
IP(EA), eV:	-8.64(0.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-fluoro-N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C(=O)CN2CCN(CC2)[C@H](C)C(=O)NC3=CC=CC=C3C)C

DOS

IR

Vibrations