Geometry & MOs

Info

ID:	295302
PubChem CID:	117525677
Reduced:	FON2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	243.089543
ΔH_f, kcal/mol:	-31.27
Dipole, Da:	1.78
IP(EA), eV:	-9.19(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-2-(2-phenylethyl)pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC=C(C(=C2)CN)O)F

DOS

IR

Vibrations