Geometry & MOs

Info

ID:	262712
PubChem CID:	103310540
Reduced:	OH6F8C10 (1)
Stoich.:	AB6C8D10 (1)
Weight, g/mol:	319.96353
ΔH_f, kcal/mol:	-439.62
Dipole, Da:	3.57
IP(EA), eV:	-10.39(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]benzene

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)C(C(C(F)(F)F)C(F)(F)F)O)F

DOS

IR

Vibrations