Geometry & MOs

Info

ID:	181355
PubChem CID:	76733840
Reduced:	YC10H22 (1)
Stoich.:	AB10C22 (1)
Weight, g/mol:	346.116486
ΔH_f, kcal/mol:	-13.38
Dipole, Da:	2.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.763883
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)-N-(2-hydroxy-1-phenylethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C-](C)C.C[C-](C)C.[Y]

DOS

IR

Vibrations