Geometry & MOs

Info

ID:	288427
PubChem CID:	104316521
Reduced:	O5C12H16 (1)
Stoich.:	A5B12C16 (1)
Weight, g/mol:	211.084458
ΔH_f, kcal/mol:	-195.16
Dipole, Da:	3.59
IP(EA), eV:	-8.98(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxybutoxy)pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(CCOC1=C(C=CC=C1OC)C(=O)O)O

DOS

IR

Vibrations