Geometry & MOs

Info

ID:	32281
PubChem CID:	6436306
Reduced:	OC3H4 (4)
Stoich.:	AB3C4 (4)
Weight, g/mol:	340.26136
ΔH_f, kcal/mol:	-125.15
Dipole, Da:	4.2
IP(EA), eV:	-8.68(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(6-methylheptyl) (E)-but-2-enedioate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)/C=C/CO

DOS

IR

Vibrations