Geometry & MOs

Info

ID:	394837
PubChem CID:	135023914
Reduced:	OF3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	71.04969
ΔH_f, kcal/mol:	-171.42
Dipole, Da:	3.42
IP(EA), eV:	-10.36(0.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

but-3-ynyloxidanium

Drug info:

PubChemData

Smile

CC(C)(CC=C)C(C#CC(F)(F)F)O

DOS

IR

Vibrations