Geometry & MOs

Info

ID:	328901
PubChem CID:	126728980
Reduced:	Br2H38C45 (1)
Stoich.:	A2B38C45 (1)
Weight, g/mol:	432.171084
ΔH_f, kcal/mol:	108.98
Dipole, Da:	2.05
IP(EA), eV:	-8.38(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,4,4,5,5,6,6,6-nonafluorohexyl 2-tert-butyl-4,4-dimethylpentanoate

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(C2)C3=CC4=C(C=C3)C5=C(C4(C)C)C=C(C=C5)Br)C6=C1C=C(C=C6)C7=CC8=C(C=C7)C9=C(C8(C)C)C=C(C=C9)Br)C

DOS

IR

Vibrations