Geometry & MOs

Info

ID:	53310
PubChem CID:	14710284
Reduced:	O2C7H12 (2)
Stoich.:	A2B7C12 (2)
Weight, g/mol:	284.198759
ΔH_f, kcal/mol:	-216.56
Dipole, Da:	2.99
IP(EA), eV:	-10.74(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-methyl-2-[(E)-oct-1-enyl]propanedioate

Drug info:

PubChemData

Smile

CCCCCCC1CC(C(=O)O1)(C)C(=O)OCC

DOS

IR

Vibrations