Geometry & MOs

Info

ID:	205758
PubChem CID:	80153130
Reduced:	FSN3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	271.120843
ΔH_f, kcal/mol:	-7.52
Dipole, Da:	1.83
IP(EA), eV:	-8.63(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2,4,6-trimethylphenoxy)methyl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCNC(C)C1=C(C=C(C(=C1)F)C)SC2=CC(=NN2C)C

DOS

IR

Vibrations