Geometry & MOs

Info

ID:	283316
PubChem CID:	103973793
Reduced:	O5C11H20 (1)
Stoich.:	A5B11C20 (1)
Weight, g/mol:	200.104859
ΔH_f, kcal/mol:	-251.73
Dipole, Da:	2.37
IP(EA), eV:	-10.6(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-ethoxycarbonyl-2-methylhex-4-enoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(CCCCCO)C(=O)O

DOS

IR

Vibrations