Geometry & MOs

Info

ID:	407383
PubChem CID:	135079964
Reduced:	OH10C11 (2)
Stoich.:	AB10C11 (2)
Weight, g/mol:	252.136159
ΔH_f, kcal/mol:	95.35
Dipole, Da:	1.45
IP(EA), eV:	-8.81(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(2E,4E)-hexa-2,4-dienyl]-2-prop-2-enylpropanedioate

Drug info:

PubChemData

Smile

COC(=O)C/C=C/C#CC#C/C=C/C/C=C/C=C/C1=CC=CC=C1

DOS

IR

Vibrations