Geometry & MOs

Info

ID:	57507
PubChem CID:	22400338
Reduced:	FNO2C17H24 (1)
Stoich.:	ABC2D17E24 (1)
Weight, g/mol:	326.159003
ΔH_f, kcal/mol:	-140.1
Dipole, Da:	2.94
IP(EA), eV:	-8.94(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[(2-fluoro-5-methoxyphenyl)methyl]-1-propylpiperidin-1-ium-1-carbothioic S-acid

Drug info:

PubChemData

Smile

CCCC(=O)N1CCC(CC1)CC2=C(C=CC(=C2)OC)F

DOS

IR

Vibrations