Geometry & MOs

Info

ID:	260935
PubChem CID:	103210094
Reduced:	O2F3C15H21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	291.071842
ΔH_f, kcal/mol:	-256.22
Dipole, Da:	5.48
IP(EA), eV:	-9.31(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-hydroxy-2-(2,2,2-trifluoroethoxy)ethyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CCC(C)C1=CC=C(C=C1)C(CCOCC(F)(F)F)O

DOS

IR

Vibrations