Geometry & MOs

Info

ID:	338765
PubChem CID:	127259776
Reduced:	BrO4H15C18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	330.065887
ΔH_f, kcal/mol:	-93.46
Dipole, Da:	2.4
IP(EA), eV:	-8.78(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-(6-chloro-1,3-benzodioxol-5-yl)prop-1-en-2-yl] 2-phenylacetate

Drug info:

PubChemData

Smile

C/C(=C\C1=C(C2=C(C=C1)OCO2)Br)/OC(=O)CC3=CC=CC=C3

DOS

IR

Vibrations