Geometry & MOs

Info

ID:	22514
PubChem CID:	597402
Reduced:	O2C6H9 (2)
Stoich.:	A2B6C9 (2)
Weight, g/mol:	226.120509
ΔH_f, kcal/mol:	-171.13
Dipole, Da:	2.77
IP(EA), eV:	-10.49(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 3,4-diethylhexa-2,4-dienedioate

Drug info:

PubChemData

Smile

CCC(=CC(=O)OC)C(=CC(=O)OC)CC

DOS

IR

Vibrations