Geometry & MOs

Info

ID:	7217
PubChem CID:	71608
Reduced:	NPO7C8H14 (1)
Stoich.:	ABC7D8E14 (1)
Weight, g/mol:	267.050789
ΔH_f, kcal/mol:	-368.06
Dipole, Da:	3.59
IP(EA), eV:	-9.44(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;phosphoric acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations