Geometry & MOs

Info

ID:	372249
PubChem CID:	131294673
Reduced:	NO2F5H6C8 (1)
Stoich.:	AB2C5D6E8 (1)
Weight, g/mol:	219.08079
ΔH_f, kcal/mol:	-333.72
Dipole, Da:	5.79
IP(EA), eV:	-9.58(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1C(F)(F)F)O)OC(F)F)N

DOS

IR

Vibrations