Geometry & MOs

Info

ID:	53053
PubChem CID:	14709477
Reduced:	ClNOH4C5 (1)
Stoich.:	ABCD4E5 (1)
Weight, g/mol:	166.021719
ΔH_f, kcal/mol:	-6.24
Dipole, Da:	5.44
IP(EA), eV:	-11.45(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1,3,4,4-hexafluorobutane

Drug info:

PubChemData

Smile

C/C=C(\C#N)/C(=O)Cl

DOS

IR

Vibrations