Geometry & MOs

Info

ID:	394836
PubChem CID:	135023913
Reduced:	SN2O2C22H22 (1)
Stoich.:	AB2C2D22E22 (1)
Weight, g/mol:	206.09185
ΔH_f, kcal/mol:	-9.83
Dipole, Da:	2.03
IP(EA), eV:	-9.43(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluoro-5,5-dimethyloct-7-en-2-yn-4-ol

Drug info:

PubChemData

Smile

C1CCC(CC1)SC(=O)C2=CC=CC(=C2)C(=O)N(CC3=CC=CC=C3)C#N

DOS

IR

Vibrations