Geometry & MOs

Info

ID:	288904
PubChem CID:	104327999
Reduced:	ClF2N2H9C15 (1)
Stoich.:	AB2C2D9E15 (1)
Weight, g/mol:	272.096106
ΔH_f, kcal/mol:	-25.72
Dipole, Da:	2.48
IP(EA), eV:	-9.58(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[amino-(4-fluoro-2-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C2=NC3=C(C=CC(=C3)F)C(=N2)Cl

DOS

IR

Vibrations