Geometry & MOs

Info

ID:	174770
PubChem CID:	75812563
Reduced:	F3N3O4C19H22 (1)
Stoich.:	A3B3C4D19E22 (1)
Weight, g/mol:	241.227989
ΔH_f, kcal/mol:	-300.91
Dipole, Da:	9.61
IP(EA), eV:	-9.01(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(3-methylpiperidin-1-ium-1-yl)propyl]pentanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC1C(=O)NC2=CC(=C(C=C2)OCC(F)(F)F)C#N

DOS

IR

Vibrations