Geometry & MOs

Info

ID:	229900
PubChem CID:	87569476
Reduced:	OC7H14 (2)
Stoich.:	AB7C14 (2)
Weight, g/mol:	258.183109
ΔH_f, kcal/mol:	-154.43
Dipole, Da:	1.84
IP(EA), eV:	-10.63(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-O-(2-ethylbutyl) 1-O-methyl heptanedioate

Drug info:

PubChemData

Smile

CCCCCCC(CCCC)COC(=O)C

DOS

IR

Vibrations