Geometry & MOs

Info

ID:	37567
PubChem CID:	8022267
Reduced:	Cl2O3H12C17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	358.060801
ΔH_f, kcal/mol:	-66.26
Dipole, Da:	2.16
IP(EA), eV:	-9.74(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C/C(=O)OCC(=O)C2=CC=CC=C2Cl)Cl

DOS

IR

Vibrations