Geometry & MOs

Info

ID:	128946
PubChem CID:	51064117
Reduced:	ClNO4C6H12 (1)
Stoich.:	ABC4D6E12 (1)
Weight, g/mol:	205.050571
ΔH_f, kcal/mol:	-214.31
Dipole, Da:	7.01
IP(EA), eV:	-10.76(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydron;chloride

Drug info:

PubChemData

Smile

CN[C@@H](CC(=O)O)C(=O)OC.Cl

DOS

IR

Vibrations