Geometry & MOs

Info

ID:	303505
PubChem CID:	124489834
Reduced:	O2C11H12 (1)
Stoich.:	A2B11C12 (1)
Weight, g/mol:	248.043597
ΔH_f, kcal/mol:	-61.87
Dipole, Da:	4.94
IP(EA), eV:	-9.83(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-1,2,3,4,5,5,6-heptafluoro-6-propan-2-ylcyclohexa-1,3-diene

Drug info:

PubChemData

Smile

C1C[C@@H]([C@H]1C2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations