Geometry & MOs

Info

ID:	405820
PubChem CID:	135075580
Reduced:	O2C13H22 (1)
Stoich.:	A2B13C22 (1)
Weight, g/mol:	248.214016
ΔH_f, kcal/mol:	-110.75
Dipole, Da:	3.5
IP(EA), eV:	-9.38(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8E,11E)-2,6,10,10-tetramethyltrideca-1,8,11-trien-7-one

Drug info:

PubChemData

Smile

CCCCCCC[C@@H]1CC(=O)C(=CO1)C

DOS

IR

Vibrations