Geometry & MOs

Info

ID:	402125
PubChem CID:	135054507
Reduced:	NO7C32H37 (1)
Stoich.:	AB7C32D37 (1)
Weight, g/mol:	208.089958
ΔH_f, kcal/mol:	-265.45
Dipole, Da:	3.76
IP(EA), eV:	-8.64(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-6-(3-fluorophenyl)hex-4-enoic acid

Drug info:

PubChemData

Smile

C[C@H]1C=C([C@H]([C@]2([C@@H]1C(=O)OC(C)(C)C)C3=CC=CC=C3N(C2=O)C(=O)OC(C)(C)C)C4=CC=C(C=C4)OC)C=O

DOS

IR

Vibrations