Geometry & MOs

Info

ID:	36829
PubChem CID:	8013413
Reduced:	NO6C23H27 (1)
Stoich.:	AB6C23D27 (1)
Weight, g/mol:	366.006179
ΔH_f, kcal/mol:	-210.34
Dipole, Da:	6.55
IP(EA), eV:	-9.09(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H]1CCCC2=CC=CC=C12)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations