Geometry & MOs

Info

ID:	379870
PubChem CID:	134961899
Reduced:	NCl2H19C21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	436.088497
ΔH_f, kcal/mol:	35.22
Dipole, Da:	2.27
IP(EA), eV:	-9.29(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-7,7,8,8,9,9,10,10,10-nonafluoro-5-[2-(4-fluorophenyl)ethynyl]decan-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations