Geometry & MOs

Info

ID:	290506
PubChem CID:	104643357
Reduced:	FON4H9C13 (1)
Stoich.:	ABC4D9E13 (1)
Weight, g/mol:	258.04407
ΔH_f, kcal/mol:	48.32
Dipole, Da:	2.5
IP(EA), eV:	-9.43(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-fluoropyridin-2-yl)-1,3-benzoxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=C(ON=C2N)C3=NC=C(C=C3)F

DOS

IR

Vibrations