Geometry & MOs

Info

ID:	14793
PubChem CID:	420807
Reduced:	NO4C11H13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	223.084458
ΔH_f, kcal/mol:	-137.45
Dipole, Da:	3.12
IP(EA), eV:	-8.96(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-1-(1,3-benzodioxol-5-yl)ethyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC(CN)C1=CC2=C(C=C1)OCO2

DOS

IR

Vibrations