Geometry & MOs

Info

ID:	444216
PubChem CID:	135261740
Reduced:	FSO3N8H29C31 (1)
Stoich.:	ABC3D8E29F31 (1)
Weight, g/mol:	195.089543
ΔH_f, kcal/mol:	25.19
Dipole, Da:	5.89
IP(EA), eV:	-8.66(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-hydroxybutyl)pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)CC(=O)NC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C/4\C=C5C(=N4)C=CC=C5C6=CC(=CC(=C6)CNS(=O)(=O)C)F)N=C2

DOS

IR

Vibrations