Geometry & MOs

Info

ID:	205033
PubChem CID:	80047573
Reduced:	O4C11H22 (1)
Stoich.:	A4B11C22 (1)
Weight, g/mol:	282.146724
ΔH_f, kcal/mol:	-218.74
Dipole, Da:	4.91
IP(EA), eV:	-10.08(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dimethoxyphenyl)-hydroxymethyl]hexanoic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)C(C)(CCOC)O

DOS

IR

Vibrations