Geometry & MOs

Info

ID:	22854
PubChem CID:	599206
Reduced:	O2F3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	372.227615
ΔH_f, kcal/mol:	-284.21
Dipole, Da:	1.51
IP(EA), eV:	-10.67(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tridecyl 3-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations