Geometry & MOs

Info

ID:	386188
PubChem CID:	134981021
Reduced:	BrOC8H11 (1)
Stoich.:	ABC8D11 (1)
Weight, g/mol:	334.02185
ΔH_f, kcal/mol:	-44.76
Dipole, Da:	4.09
IP(EA), eV:	-8.99(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H]2C/C(=C\Br)/O[C@@H]2C1

DOS

IR

Vibrations