Geometry & MOs

Info

ID:	406767
PubChem CID:	135078564
Reduced:	FO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	198.144222
ΔH_f, kcal/mol:	-181.48
Dipole, Da:	4.15
IP(EA), eV:	-9.63(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-1-ethylsulfanyl-3,7-dimethylocta-2,6-diene

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC[C@@H](C1=CC=C(C=C1)F)O

DOS

IR

Vibrations