Geometry & MOs

Info

ID:	412373
PubChem CID:	135085263
Reduced:	OC14H22 (1)
Stoich.:	AB14C22 (1)
Weight, g/mol:	314.01676
ΔH_f, kcal/mol:	-28.33
Dipole, Da:	1.25
IP(EA), eV:	-9.39(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3-[(E)-4-iodobut-2-enoxy]prop-1-enyl]benzene

Drug info:

PubChemData

Smile

CC(C)(C)C#CC(C1=CCCCC1)OC

DOS

IR

Vibrations