Geometry & MOs

Info

ID:	159351
PubChem CID:	57269658
Reduced:	ON4C11H18 (1)
Stoich.:	AB4C11D18 (1)
Weight, g/mol:	240.123583
ΔH_f, kcal/mol:	0.73
Dipole, Da:	1.0
IP(EA), eV:	-8.45(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 2-[3-hydroxy-5-(hydroxymethyl)-2,4-dimethylpyridin-1-ium-1-yl]acetate

Drug info:

PubChemData

Smile

CCOC1=NC=CN=C1N2CCCNCC2

DOS

IR

Vibrations