Geometry & MOs

Info

ID:	339108
PubChem CID:	127260365
Reduced:	Br2O3H8C13 (1)
Stoich.:	A2B3C8D13 (1)
Weight, g/mol:	220.109944
ΔH_f, kcal/mol:	-59.91
Dipole, Da:	5.35
IP(EA), eV:	-9.26(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-2-hydroxyhex-3-enyl] benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OC2=C(C(=CC(=C2)Br)Br)O

DOS

IR

Vibrations