Geometry & MOs

Info

ID:	37398
PubChem CID:	8020627
Reduced:	N2O3C14H14 (1)
Stoich.:	A2B3C14D14 (1)
Weight, g/mol:	291.110673
ΔH_f, kcal/mol:	-64.32
Dipole, Da:	5.92
IP(EA), eV:	-9.31(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]1C(=O)OCC(=O)NC2=CC=CC(=C2)C#N

DOS

IR

Vibrations