Geometry & MOs

Info

ID:	28437
PubChem CID:	827589
Reduced:	SN2O2C14H16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	252.159969
ΔH_f, kcal/mol:	-46.61
Dipole, Da:	5.63
IP(EA), eV:	-8.76(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[[(2R,4S)-2-(furan-2-yl)-1,3-dioxolan-4-yl]methyl]-1-methylpiperidin-1-ium

Drug info:

PubChemData

Smile

CC1=C([C@H](NC(=S)N1)C2=CC=C(C=C2)OC)C(=O)C

DOS

IR

Vibrations