Geometry & MOs

Info

ID:	390509
PubChem CID:	134999493
Reduced:	ON4C18H18 (1)
Stoich.:	AB4C18D18 (1)
Weight, g/mol:	290.112979
ΔH_f, kcal/mol:	62.56
Dipole, Da:	3.8
IP(EA), eV:	-9.87(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-tert-butylperoxy-1,1,1-trifluoro-4-phenylbutan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1C(=O)C[C@@H](C2=CC=CC=C2)C(C)(C#N)C#N)C

DOS

IR

Vibrations