Geometry & MOs

Info

ID:	149787
PubChem CID:	53789463
Reduced:	F2N2H14C19 (1)
Stoich.:	A2B2C14D19 (1)
Weight, g/mol:	278.069142
ΔH_f, kcal/mol:	0.81
Dipole, Da:	2.44
IP(EA), eV:	-8.74(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 2-(1,2-benzoxazol-3-yl)-2-cyanoacetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=NC2=CC=C(C=C2)F)NC3=CC=C(C=C3)F

DOS

IR

Vibrations