Geometry & MOs

Info

ID:	21995
PubChem CID:	594652
Reduced:	NO2F3H10C15 (1)
Stoich.:	AB2C3D10E15 (1)
Weight, g/mol:	293.066363
ΔH_f, kcal/mol:	-183.14
Dipole, Da:	2.07
IP(EA), eV:	-9.32(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N(C(=O)O2)CC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations