Geometry & MOs

Info

ID:	221871
PubChem CID:	85291480
Reduced:	F3O3C13H13 (1)
Stoich.:	A3B3C13D13 (1)
Weight, g/mol:	274.160266
ΔH_f, kcal/mol:	-261.74
Dipole, Da:	5.28
IP(EA), eV:	-9.97(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tridec-12-yn-2-yl methanesulfonate

Drug info:

PubChemData

Smile

CCOC(=O)C(=CC1=CC=CC=C1)C(C(F)(F)F)O

DOS

IR

Vibrations