Geometry & MOs

Info

ID:	137772
PubChem CID:	52259483
Reduced:	FN2O6H15C17 (1)
Stoich.:	AB2C6D15E17 (1)
Weight, g/mol:	362.091414
ΔH_f, kcal/mol:	-151.34
Dipole, Da:	4.93
IP(EA), eV:	-9.04(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2-fluoro-4-nitrophenoxy)acetamide

Drug info:

PubChemData

Smile

C1[C@@H](OC2=CC=CC=C2O1)CNC(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])F

DOS

IR

Vibrations