Geometry & MOs

Info

ID:	37805
PubChem CID:	8024638
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	288.159969
ΔH_f, kcal/mol:	-112.77
Dipole, Da:	7.3
IP(EA), eV:	-9.08(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-hydroxy-8-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1CC2=CC(=O)OC3=C2C=CC(=C3C)O

DOS

IR

Vibrations