Geometry & MOs

Info

ID:	137771
PubChem CID:	52259482
Reduced:	FN2O5H17C18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	362.091414
ΔH_f, kcal/mol:	-128.96
Dipole, Da:	9.26
IP(EA), eV:	-9.41(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])F

DOS

IR

Vibrations