Geometry & MOs

Info

ID:	52924
PubChem CID:	14709217
Reduced:	O3C12H20 (1)
Stoich.:	A3B12C20 (1)
Weight, g/mol:	254.188195
ΔH_f, kcal/mol:	-146.11
Dipole, Da:	2.28
IP(EA), eV:	-9.41(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-3,7-dimethyl-1-(oxan-2-yloxy)octa-2,6-dien-4-ol

Drug info:

PubChemData

Smile

CC(=CCC(/C(=C/CO)/C)OC(=O)C)C

DOS

IR

Vibrations