Geometry & MOs

Info

ID:	2184
PubChem CID:	6171
Reduced:	ClNO3C8H10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	203.034921
ΔH_f, kcal/mol:	-134.91
Dipole, Da:	3.31
IP(EA), eV:	-9.78(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;hydrochloride

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1O)C=O)CO.Cl

DOS

IR

Vibrations