Geometry & MOs

Info

ID:	205036
PubChem CID:	80047576
Reduced:	OC4H8 (3)
Stoich.:	AB4C8 (3)
Weight, g/mol:	266.151809
ΔH_f, kcal/mol:	-190.2
Dipole, Da:	6.25
IP(EA), eV:	-10.64(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[hydroxy-(4-hydroxy-3,5-dimethylphenyl)methyl]hexanoic acid

Drug info:

PubChemData

Smile

CCCCCC(C(CCCC)C(=O)O)O

DOS

IR

Vibrations