Geometry & MOs

Info

ID:	386075
PubChem CID:	134980707
Reduced:	OH11C13 (2)
Stoich.:	AB11C13 (2)
Weight, g/mol:	154.09938
ΔH_f, kcal/mol:	104.13
Dipole, Da:	3.02
IP(EA), eV:	-8.89(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2Z,4Z)-4-methylhexa-2,4-dienyl] acetate

Drug info:

PubChemData

Smile

CC1=C(C2(C3C=CC(C2(C1=O)C)C(=O)C=C3)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations