Geometry & MOs

Info

ID:	391322
PubChem CID:	135004327
Reduced:	NO6C21H23 (1)
Stoich.:	AB6C21D23 (1)
Weight, g/mol:	259.045628
ΔH_f, kcal/mol:	-218.47
Dipole, Da:	3.45
IP(EA), eV:	-8.88(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl isocyanate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC3=C(C(C(=C3C2=O)NC(C)(C)C)C(=O)OC)C(=O)OC

DOS

IR

Vibrations