Geometry & MOs

Info

ID:	388902
PubChem CID:	134990557
Reduced:	NO5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	221.085207
ΔH_f, kcal/mol:	-108.7
Dipole, Da:	8.14
IP(EA), eV:	-8.47(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-3-(oxan-4-yl)-1,2-benzoxazole

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1O)C)CC=C(C)COC2=CC=C(C=C2)[N+](=O)[O-])O)C

DOS

IR

Vibrations