Geometry & MOs

Info

ID:	49187
PubChem CID:	11528832
Reduced:	FNOH10C15 (1)
Stoich.:	ABCD10E15 (1)
Weight, g/mol:	240.053492
ΔH_f, kcal/mol:	0.13
Dipole, Da:	2.92
IP(EA), eV:	-9.34(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyridin-3-yl-1,3-benzoxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C(=C\C#N)/C2=CC=C(C=C2)F)O

DOS

IR

Vibrations