Geometry & MOs

Info

ID:	288424
PubChem CID:	104316509
Reduced:	O4C11H14 (1)
Stoich.:	A4B11C14 (1)
Weight, g/mol:	210.089209
ΔH_f, kcal/mol:	-162.93
Dipole, Da:	8.06
IP(EA), eV:	-9.52(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxybutoxy)benzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations