Geometry & MOs

Info

ID:	320198
PubChem CID:	126658673
Reduced:	NO7C22H29 (1)
Stoich.:	AB7C22D29 (1)
Weight, g/mol:	154.115779
ΔH_f, kcal/mol:	-285.7
Dipole, Da:	2.73
IP(EA), eV:	-8.29(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,5E)-2-fluoro-6,7-dimethylocta-1,3,5-triene

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1CC(=O)N(C1=O)[C@@H]2CCCCC2OCCC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations