Geometry & MOs

Info

ID:	135561
PubChem CID:	51892404
Reduced:	N5C13H19 (1)
Stoich.:	A5B13C19 (1)
Weight, g/mol:	180.009696
ΔH_f, kcal/mol:	70.76
Dipole, Da:	10.0
IP(EA), eV:	-10.16(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

6-fluoro-2,1-benzoxazole-3-carboxylate

Drug info:

PubChemData

Smile

C1CCC2(CC1)[C@@H]3CCCCC3=NC4=NN=NN24

DOS

IR

Vibrations