Geometry & MOs

Info

ID:	17979
PubChem CID:	530991
Reduced:	O2F5H15C16 (1)
Stoich.:	A2B5C15D16 (1)
Weight, g/mol:	334.099221
ΔH_f, kcal/mol:	-257.16
Dipole, Da:	2.95
IP(EA), eV:	-10.58(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyloct-5-yn-4-yl 2,3,4,5,6-pentafluorobenzoate

Drug info:

PubChemData

Smile

CCC#CC(CC(C)C)OC(=O)C1=C(C(=C(C(=C1F)F)F)F)F

DOS

IR

Vibrations