Geometry & MOs

Info

ID:	17975
PubChem CID:	530698
Reduced:	O2F3C18H19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	324.133714
ΔH_f, kcal/mol:	-159.56
Dipole, Da:	0.88
IP(EA), eV:	-9.73(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethylnon-1-en-3-yn-5-yl 2,3,4-trifluorobenzoate

Drug info:

PubChemData

Smile

CCCC(C)C(C#CC(=C)C)OC(=O)C1=C(C(=C(C=C1)F)F)F

DOS

IR

Vibrations