Geometry & MOs

Info

ID:	288431
PubChem CID:	104316542
Reduced:	NO4C10H13 (1)
Stoich.:	AB4C10D13 (1)
Weight, g/mol:	227.061614
ΔH_f, kcal/mol:	-149.53
Dipole, Da:	4.89
IP(EA), eV:	-9.95(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-hydroxybutylsulfanyl)pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(CCOC1=C(C=CN=C1)C(=O)O)O

DOS

IR

Vibrations