Geometry & MOs

Info

ID:	385866
PubChem CID:	134980169
Reduced:	O3C7H10 (2)
Stoich.:	A3B7C10 (2)
Weight, g/mol:	258.25588
ΔH_f, kcal/mol:	-264.6
Dipole, Da:	2.08
IP(EA), eV:	-9.73(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R)-2-ethyl-3-methyltridecane-1,4-diol

Drug info:

PubChemData

Smile

CCOC(=O)C/C=C(\COC(=O)C)/C(=C)COC(=O)C

DOS

IR

Vibrations