Geometry & MOs

Info

ID:	412752
PubChem CID:	135085669
Reduced:	OF3H11C12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	256.149701
ΔH_f, kcal/mol:	-179.43
Dipole, Da:	3.0
IP(EA), eV:	-10.16(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-butylsulfanylpent-4-ynoxy)oxane

Drug info:

PubChemData

Smile

C/C(=C\C(=O)C)/C1=CC(=CC=C1)C(F)(F)F

DOS

IR

Vibrations