Geometry & MOs

Info

ID:	137767
PubChem CID:	52259478
Reduced:	FSN2O5H13C15 (1)
Stoich.:	ABC2D5E13F15 (1)
Weight, g/mol:	288.054635
ΔH_f, kcal/mol:	-120.51
Dipole, Da:	6.92
IP(EA), eV:	-9.68(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC(=O)NCC1=CC=C(S1)C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])F

DOS

IR

Vibrations