Geometry & MOs

Info

ID:	396667
PubChem CID:	135029005
Reduced:	O2C5H9 (2)
Stoich.:	A2B5C9 (2)
Weight, g/mol:	334.02185
ΔH_f, kcal/mol:	-186.86
Dipole, Da:	4.06
IP(EA), eV:	-9.49(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-iodo-4-phenylbut-3-en-2-yl]benzene

Drug info:

PubChemData

Smile

C1C[C@@H]([C@H](OC1)C[C@H](/C=C\CO)O)O

DOS

IR

Vibrations