Geometry & MOs

Info

ID:	59224
PubChem CID:	24775784
Reduced:	OC18H22 (1)
Stoich.:	AB18C22 (1)
Weight, g/mol:	288.245316
ΔH_f, kcal/mol:	33.38
Dipole, Da:	2.39
IP(EA), eV:	-9.27(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-3,7-dimethyl-1-[(Z)-2,2,5-trimethylhept-4-en-6-yn-3-yl]oxyocta-2,6-diene

Drug info:

PubChemData

Smile

C/C(=C\COC/C=C(/C)\C#C)/CCC1=CC=CC=C1

DOS

IR

Vibrations