Geometry & MOs

Info

ID:	220451
PubChem CID:	85195411
Reduced:	O5C10H18 (1)
Stoich.:	A5B10C18 (1)
Weight, g/mol:	218.151809
ΔH_f, kcal/mol:	-246.39
Dipole, Da:	2.51
IP(EA), eV:	-10.23(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-(hydroxymethyl)decanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CCC1C(COC(O1)C)O

DOS

IR

Vibrations