Geometry & MOs

Info

ID:	52484
PubChem CID:	12015362
Reduced:	NO3C22H23 (1)
Stoich.:	AB3C22D23 (1)
Weight, g/mol:	178.024164
ΔH_f, kcal/mol:	-71.07
Dipole, Da:	3.64
IP(EA), eV:	-8.72(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1,1,1-trifluoro-6-methoxyhex-5-en-3-yn-2-one

Drug info:

PubChemData

Smile

C/C(=C/C1=CN(C2=CC=CC=C21)C(=O)C)/CC(C3=CC=C(C=C3)OC)O

DOS

IR

Vibrations