Geometry & MOs

Info

ID:	37770
PubChem CID:	8024220
Reduced:	NO2C18H23 (1)
Stoich.:	AB2C18D23 (1)
Weight, g/mol:	286.180704
ΔH_f, kcal/mol:	-74.4
Dipole, Da:	6.86
IP(EA), eV:	-8.97(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6,7-dimethyl-4-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)CC2=CC(=O)OC3=C2C=C(C(=C3)C)C

DOS

IR

Vibrations