Geometry & MOs

Info

ID:	52925
PubChem CID:	14709218
Reduced:	O3C15H26 (1)
Stoich.:	A3B15C26 (1)
Weight, g/mol:	252.172545
ΔH_f, kcal/mol:	-153.6
Dipole, Da:	2.7
IP(EA), eV:	-9.28(1.2)
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-one

Drug info:

PubChemData

Smile

CC(=CCC(/C(=C/COC1CCCCO1)/C)O)C

DOS

IR

Vibrations