Geometry & MOs

Info

ID:	382033
PubChem CID:	134972936
Reduced:	O2C23H24 (1)
Stoich.:	A2B23C24 (1)
Weight, g/mol:	208.14633
ΔH_f, kcal/mol:	44.18
Dipole, Da:	4.05
IP(EA), eV:	-9.74(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-trideca-1,6-diene-3,5-dione

Drug info:

PubChemData

Smile

C1[C@@H]2C=C[C@H]1C3C2C=C(C3=O)CCCC4=CC5[C@H]6C[C@@H](C5C4=O)C=C6

DOS

IR

Vibrations